Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Ethanone, 1-(4-methylphenyl)-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Phase change data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil499.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus208.75KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.4 K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
498.20.981Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
59.6303.AStephenson and Malanowski, 1987Based on data from 288. - 333. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C9H9O- + Hydrogen cation = Ethanone, 1-(4-methylphenyl)-

By formula: C9H9O- + H+ = C9H10O

Quantity Value Units Method Reference Comment
Deltar1513. ± 8.8kJ/molG+TSTaft and Topsom, 1987gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar1485. ± 8.4kJ/molIMRETaft and Topsom, 1987gas phase; value altered from reference due to change in acidity scale

Gas phase ion energetics data

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C9H10O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)875.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity843.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.17 ± 0.02EIRabbih, Helal, et al., 1981LLK
8.85PEKobayashi and Nagakura, 1974LLK
9.14EIHowe and Williams, 1969RDSH
9.38PEGal, Geribaldi, et al., 1985Vertical value; LBLHLM
9.12PEKobayashi and Nagakura, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7+13.8 ± 0.3?EIMcLafferty and Winkler, 1974LLK
C8H7O+10.52 ± 0.05CH3EIHelal and Zahran, 1978LLK
C8H7O+9.72CH3EIBuchs, Rossetti, et al., 1964RDSH

De-protonation reactions

C9H9O- + Hydrogen cation = Ethanone, 1-(4-methylphenyl)-

By formula: C9H9O- + H+ = C9H10O

Quantity Value Units Method Reference Comment
Deltar1513. ± 8.8kJ/molG+TSTaft and Topsom, 1987gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1485. ± 8.4kJ/molIMRETaft and Topsom, 1987gas phase; value altered from reference due to change in acidity scale; B

IR Spectrum

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 114751

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30100.1161.0Tudor, 199740. m/0.35 mm/0.35 «mu»m
PackedOV-101120.1162.7Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-101130.1163.6Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-101140.1178.2Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-101160.1181.7Hassani and Meklati, 1992N2, Chromosorb G HP; Column length: 5. m
PackedOV-101150.1175.5Maeck, Touabet, et al., 1989N2, Chromosorb G HP; Column length: 2. m
PackedApiezon L130.1187.Cook and Raushel, 1972He, Chromosorb W AW DMCS (80-100 mesh)

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-51190.Gauvin, Lecomte, et al., 200460. m/0.32 mm/1. «mu»m, He, 4. K/min, 200. C @ 30. min; Tstart: 60. C
CapillaryDB-51183.Lucero, Estell, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C
CapillaryBP-11160.Bartley, 1988He, 2. K/min; Column length: 50. m; Tstart: -100. C; Tend: 200. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-11166.MacLeod, MacLeod, et al., 1988Column length: 25. m; Column diameter: 0.2 mm; Program: not specified

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Wax1808.Gauvin, Lecomte, et al., 200450. m/0.2 mm/0.4 «mu»m, He, 4. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryCarbowax 20M1746.Nishimura, Yamaguchi, et al., 19892. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryDB-Wax1791.Umano and Shibamoto, 198840. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51178.Martins, Santos, et al., 200730. m/0.22 mm/0.25 «mu»m, 60. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryHP-5MS1183.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryRTX-11157.Cozzani, Muselli, et al., 200560. m/0.22 mm/0.25 «mu»m, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryHP-51189.Mahattanatawee, Goodner, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min
CapillaryHP-5MS1181.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-5MS1190.Seo and Baek, 200560. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 200. C @ 20. min; Tstart: 40. C
CapillarySPB-51165.Pino, Marbot, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryPE-51178.Isidorov and Vinogorova, 2003He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 280. C
CapillaryHP-51182.Couladis, Tsortanidou, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 380. C
CapillaryCP Sil 5 CB1157.Weyerstahl, Marschall, et al., 1999He, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51180.Wang, Finn, et al., 200530. m/0.32 mm/1. «mu»m, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
CapillaryDB-51179.Klesk and Qian, 200330. m/0.25 mm/0.25 «mu»m, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-3511750.Bonvehí, 200550. m/0.32 mm/0.2 «mu»m, He, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillaryRTX-Wax1752.Cozzani, Muselli, et al., 200560. m/0.22 mm/0.25 «mu»m, 2. K/min, 220. C @ 20. min; Tstart: 60. C

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryStabilwax1794.Klesk and Qian, 200330. m/0.32 mm/1. «mu»m, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)
CapillaryDB-Wax1794.Klesk and Qian, 2003, 230. m/0.25 mm/0.5 «mu»m, He; Program: 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min)
CapillaryDB-Wax1778.Radovic, Careri, et al., 200130. m/0.25 mm/0.25 «mu»m; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-101759.Schieberle and Grosch, 1988He; Column length: 30. m; Column diameter: 0.32 mm; Program: 35C => 60C/min => 50C (5min) => 4C/min => 220C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1168.Fanaro, Duarte, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 0.5 min, 5. K/min, 250. C @ 0.5 min
CapillaryHP-5 MS1182.Phungpanya, Thongpoon, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 2. K/min; Tstart: 50. C; Tend: 180. C
CapillaryHP-5 MS1188.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryHP-5 MS1183.Vagionas, Graikou, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-51180.Pino, Marbot, et al., 200630. m/0.25 mm/0.25 «mu»m, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C
CapillaryDB-11132.Lee, Lee, et al., 200560. m/0.32 mm/0.25 «mu»m, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
CapillaryDB-11151.Lee, Lee, et al., 200560. m/0.32 mm/0.25 «mu»m, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
CapillaryHP-51186.1Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryHP-5MS1187.Sajjadi and Ghannadi, 200530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 60. C; Tend: 275. C
CapillaryBP-11154.Blanc, Muselli, et al., 200450. m/0.22 mm/0.25 «mu»m, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-11158.Ueno, Masuda, et al., 200460. m/0.25 mm/0.25 «mu»m, N2, 3. K/min, 210. C @ 15. min; Tstart: 80. C
CapillaryHP-5MS1180.Couladis, Özcan, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-51182.Masotti, Juteau, et al., 200350. m/0.2 mm/0.25 «mu»m, He, 50. C @ 2. min, 3. K/min; Tend: 220. C
CapillaryDB-11160.Perez-Alonso, Velasco-Negueruela, et al., 200350. m/0.25 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryDB-51183.Zoghbi, Andrade, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-5MS1183.Maia, Zoghbi, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51182.Tellez, Khan, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryOV-1011166.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-51181.Tellez, Canel, et al., 199930. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryBP-11166.MacLeod, MacLeod, et al., 1988, 2Hydrogen, 70. C @ 5. min, 3. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tend: 180. C
CapillaryDB-11150.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillaryDB-11152.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups1179.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1199.Robinson, Adams, et al., 2012Program: not specified
CapillaryHP-51183.Custer, 200925. m/0.32 mm/0.17 «mu»m, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)
CapillaryHP-51182.Custer, 200925. m/0.32 mm/0.17 «mu»m, Helium; Program: not specified
CapillaryHP-5 MS1184.Mancini, Arnold, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)
CapillarySLB-5 MS1188.Costa, De Fina, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)
CapillarySLB-5 MS1179.Costa, De Fina, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-5MS1188.Takaku, Haber, et al., 2007He; Column length: 30. m; Column diameter: 0.25 mm; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C
CapillaryOV-1011163.Ebrahimi and Hadjmohammadi, 2006Program: not specified
CapillaryHP-5MS1184.Senatore, Apostolides Arnold, et al., 200630. m/0.25 mm/0.25 «mu»m, He; Program: 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C
CapillaryDB-5MS1177.Bagci and Baser, 200530. m/0.25 mm/0.25 «mu»m; Program: 70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C
CapillaryMethyl Silicone1180.Couladis, Özcan, et al., 2004Program: not specified
CapillarySE-301166.Vinogradov, 2004Program: not specified
CapillaryCP Sil 5 CB1158.Guyot, Bouseta, et al., 199850. m/0.32 mm/1.2 «mu»m, He; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
CapillaryRTX-51193.Masanetz and Grosch, 199830. m/0.53 mm/1.5 «mu»m, He; Program: 35 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 230 0C
CapillaryCP Sil 5 CB1164.Weyerstahl, Marschall, et al., 1998He; Column length: 25. m; Phase thickness: 0.39 «mu»m; Program: not specified
CapillaryCP Sil 5 CB1156.Weyerstahl, Marschall, et al., 1998, 2N2; Column length: 25. m; Phase thickness: 0.39 «mu»m; Program: not specified
CapillaryPolydimethyl siloxanes1158.Zenkevich and Chupalov, 1996Program: not specified
CapillarySE-541191.Blank, Fischer, et al., 198930. m/0.32 mm/0.3 «mu»m, He; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1763.Lee, Umano, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C
CapillaryBP-201770.Blanc, Muselli, et al., 200450. m/0.22 mm/0.25 «mu»m, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryCarbowax 20M1752.Vernin, Lageot, et al., 200150. m/0.22 mm/0.25 «mu»m, He, 2. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-Wax1815.Tamura, Boonbumrung, et al., 2000Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax1765.Werkhoff, Güntert, et al., 199860. m/0.32 mm/0.25 «mu»m, H2, 3. K/min; Tstart: 60. C; Tend: 220. C
CapillaryTC-Wax1785.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C
CapillaryCarbowax 20M1747.Kollmannsberger, Nitz, et al., 199245. m/0.32 mm/1.0 «mu»m, Hydrogen, 60. C @ 5. min, 2. K/min; Tend: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySOLGel-Wax1789.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
CapillarySOLGel-Wax1794.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryInnowax FSC1797.Baser, Demirci, et al., 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C
CapillaryHP Innowax1797.Mancini, Arnold, et al., 200950. m/0.20 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)
CapillaryInnowax FSC1797.Baser K.H.C., Ozek G., et al., 200660. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1797.Erdurak, Coskun, et al., 200660. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1797.Kürkçüoglu, Hüsnü Can Baser, et al., 200660. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax1797.Senatore, Apostolides Arnold, et al., 200650. m/0.2 mm/0.2 «mu»m, He; Program: 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C
CapillaryHP-Innowax FSC1797.Suleimenov Y.M., Atazhanova G.A., et al., 200660. m/0.25 mm/0.25 «mu»m, He; Program: 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1797.Demirci, Demirci, et al., 200560. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryDB-Wax1771.Lee, Lee, et al., 200560. m/0.32 mm/0.25 «mu»m, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
CapillaryDB-Wax1771.Lee, Lee, et al., 200560. m/0.32 mm/0.25 «mu»m, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
CapillaryHP-Innowax FSC1797.Sezik E., Kocakulak E., et al., 200560. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1797.Tabanca, Demirci, et al., 200560. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC1797.Baser, Özek, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1797.Kivcak, Akay, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryCarbowax 20M1750.Vinogradov, 2004Program: not specified
CapillaryHP-Innowax FSC1797.Kaya, Demirci, et al., 200360. m/0.25 mm/0.25 «mu»m, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1795.Piasenzotto, Gracco, et al., 200330. m/0.32 mm/0.5 «mu»m, He; Program: 50C(4min) => 10C/min => 230C(10min) => 10C/min => 250C
CapillaryHP-Innowax1797.Baser, Demirci, et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C
CapillaryInnowax1797.Özcan, Akgül, et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C
CapillaryInnowax FSC1797.Saglam, Gozler, et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1797.Tabanca, Kirimer, et al., 200160. m/0.25 mm/0.25 «mu»m; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1797.Tabanca, Kirimer, et al., 2001, 260. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax1797.Baser, Özek, et al., 200060. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryInnowax1797.Baser, Tabanca, et al., 200060. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryHP-Innowax FSC1797.Bagci, Baser, et al., 199960. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax1797.Baser, Kürkcüoglu, et al., 199860. m/0.25 mm/0.25 «mu»m; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryDB-Wax1794.Weyerstahl, Marschall, et al., 1998N2; Column length: 60. m; Phase thickness: 0.25 «mu»m; Program: not specified
CapillaryDB-Wax1793.Weyerstahl, Marschall, et al., 1998, 2N2; Column length: 60. m; Phase thickness: 0.25 «mu»m; Program: not specified
CapillaryCP-Wax 52CB1750.Vernin, 1991Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D., The Nature and Analysis of Substituent Effects, Prog. Phys. Org. Chem., 1987, 16, 1. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Rabbih, Helal, et al., 1981
Rabbih, M.A.; Helal, A.I.; Fahmey, M.A., Mass spectrometric studies of methylacetophenone isomers by electron impact, Indian J. Pure Appl. Phys., 1981, 19, 335. [all data]

Kobayashi and Nagakura, 1974
Kobayashi, T.; Nagakura, S., Photoelectron spectra of substituted benzenes, Bull. Chem. Soc. Jpn., 1974, 47, 2563. [all data]

Howe and Williams, 1969
Howe, I.; Williams, D.H., Calculation and qualitative predictions of mass spectra. Mono- and paradisubstituted benzenes, J. Am. Chem. Soc., 1969, 91, 7137. [all data]

Gal, Geribaldi, et al., 1985
Gal, J.-F.; Geribaldi, S.; Pfister-Guillouzo, G.; Morris, D.G., Basicity of the carbonyl group. Part 12. Correlations between ionization potentials and lewis basicities in aromatic carbonyl compounds, J. Chem. Soc. Perkin Trans. 2, 1985, 103. [all data]

McLafferty and Winkler, 1974
McLafferty, F.W.; Winkler, J., Gaseous tropylium, benzyl, tolyl, and norbornadienyl cations, J. Am. Chem. Soc., 1974, 96, 5182. [all data]

Helal and Zahran, 1978
Helal, A.I.; Zahran, N.F., Kinetic shift in some para-substituted acetophenones, Org. Mass Spectrom., 1978, 13, 549. [all data]

Buchs, Rossetti, et al., 1964
Buchs, A.; Rossetti, G.P.; Susz, B.P., Etude, en fonction de la constante «sigma»p de Hammett, du spectre de masse d'acetophenones p-substituees, Helv. Chim. Acta, 1964, 47, 1563. [all data]

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

Righezza, Hassani, et al., 1996
Righezza, M.; Hassani, A.; Meklati, B.Y.; Chrétien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 1996, 723, 1, 77-91, https://doi.org/10.1016/0021-9673(95)00816-0 . [all data]

Hassani and Meklati, 1992
Hassani, A.; Meklati, B.Y., Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phases, Chromatographia, 1992, 33, 5/6, 267-271, https://doi.org/10.1007/BF02276193 . [all data]

Maeck, Touabet, et al., 1989
Maeck, M.; Touabet, A.; Badjah Hadj Ahmed, A.Y.; Meklati, B.Y., A numerical interpolation of Kováts indices without dead time correction, Chromatographia, 1989, 27, 5/6, 205-208, https://doi.org/10.1007/BF02260447 . [all data]

Cook and Raushel, 1972
Cook, L.E.; Raushel, F.M., Calculation of retention indices for benzene and benzene derivatives on the basis of molecular structure, J. Chromatogr., 1972, 65, 3, 556-559, https://doi.org/10.1016/S0021-9673(00)85001-3 . [all data]

Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J., Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island, Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354 . [all data]

Lucero, Estell, et al., 2003
Lucero, M.E.; Estell, R.E.; Frederickson, E.L., The essential oil composition of Psorothamnus scoparius (A. Gray) Rydb., J. Essent. Oil Res., 2003, 15, 2, 108-111, https://doi.org/10.1080/10412905.2003.9712083 . [all data]

Bartley, 1988
Bartley, J.P., Volatile flavours of Australian tropical fruits, Biomed. Environ. Mass Spectrom., 1988, 16, 1-12, 201-205, https://doi.org/10.1002/bms.1200160136 . [all data]

MacLeod, MacLeod, et al., 1988
MacLeod, A.J.; MacLeod, G.; Subramanian, G., Volatile aroma constituents of orange, Phytochemistry, 1988, 27, 7, 2185-2188, https://doi.org/10.1016/0031-9422(88)80123-7 . [all data]

Nishimura, Yamaguchi, et al., 1989
Nishimura, O.; Yamaguchi, K.; Mihara, S.; Shibamoto, T., Volatile Constituents of Guava Fruits (Psidium guajava L.) and Canned Puree, J. Agric. Food Chem., 1989, 37, 1, 139-142, https://doi.org/10.1021/jf00085a033 . [all data]

Umano and Shibamoto, 1988
Umano, K.; Shibamoto, T., A new method of headspace sampling: grapefruit volatiles in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 981-998. [all data]

Martins, Santos, et al., 2007
Martins, F.T.; Santos, M.H.; Polo, M.; Barbosa, L.C.A., Effects of the interactions among macronutrients, plant age and photoperiod in the composition of Hyptis suaveolens (L.) Poit essential oil from Alfenas (MG), Brazil, Flavour Fragr. J., 2007, 22, 2, 123-129, https://doi.org/10.1002/ffj.1769 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J., Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica, Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463 . [all data]

Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A., Volatile constituents and character impact compounds of selected Florida's tropical fruit, Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Seo and Baek, 2005
Seo, W.H.; Baek, H.H., Identification of characteristic aroma-active compounds from water dropword (Oenanthe javanica DC.), J. Agric. Food Chem., 2005, 53, 17, 6766-6770, https://doi.org/10.1021/jf050150z . [all data]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C., Volatile components of tamarind (Tamarindus indica L.) grown in Cuba, J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731 . [all data]

Isidorov and Vinogorova, 2003
Isidorov, V.A.; Vinogorova, V.T., GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra, Z. Naturforsch. C:, 2003, 58, 355-360. [all data]

Couladis, Tsortanidou, et al., 2001
Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C., Composition of the essential oils of Argyranthemum species growing in the Canary Islands, Flavour Fragr. J., 2001, 16, 2, 103-106, https://doi.org/10.1002/ffj.954 . [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Wahlburg, H.-C.; Christiansen, C.; Rustaiyan, A.; Mirdjalili, F., Constituents of the essential oil of Pulicaria gnaphalodes (Vent.) Boiss. from Iran, Flavour Fragr. J., 1999, 14, 2, 121-130, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<121::AID-FFJ790>3.0.CO;2-K . [all data]

Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

Klesk and Qian, 2003
Klesk, K.; Qian, M., Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries, J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209 . [all data]

Bonvehí, 2005
Bonvehí, J.S., Investigation of aromatic compounds in roasted cocoa powder, Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y . [all data]

Klesk and Qian, 2003, 2
Klesk, K.; Qian, M., Preliminary aroma comparison of Marion (Rubus spp. hyb) and Evergreen (R. laciniatus L.) blackberries by dynamic headspace/OSME technique, J. Food Sci., 2003, 68, 2, 697-700, https://doi.org/10.1111/j.1365-2621.2003.tb05734.x . [all data]

Radovic, Careri, et al., 2001
Radovic, B.S.; Careri, M.; Mangia, A.; Musci, M.; Gerboles, M.; Anklam, E., Analytical, nutritional, and clinical methods section. Contribution of dynamic headspace GC-MS analysis of aroma compounds to authenticity testing of honey, Food Chem., 2001, 72, 4, 511-520, https://doi.org/10.1016/S0308-8146(00)00263-6 . [all data]

Schieberle and Grosch, 1988
Schieberle, P.; Grosch, W., Identification of potent flavor compounds formed in an aqueous lemon oil/citric acid emulsion, J. Agric. Food Chem., 1988, 36, 4, 797-800, https://doi.org/10.1021/jf00082a031 . [all data]

Fanaro, Duarte, et al., 2012
Fanaro, G.B.; Duarte, R.C.; Santillo, A.G.; Pinto e Silva, M.E.M.; Purgatto, E.; Villavicento, A.L.C.H., Evaluation of «gamma»-radiation on oolong tea odor volatiles, Radiation Phys. Chem., 2012, 81, 8, 1152-1156, https://doi.org/10.1016/j.radphyschem.2011.11.061 . [all data]

Phungpanya, Thongpoon, et al., 2012
Phungpanya, C.; Thongpoon, C.; Pripdeevech, P.; Machan, T., Analysis of aroma volatiles from fresh leaves of Plectranthus amboinicus using solid phase microextraction (SPME) technique, Pure and Applied Chemistry International Conference 2012 (PACCON 2012), 2012, 16701672. [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [all data]

Vagionas, Graikou, et al., 2007
Vagionas, K.; Graikou, K.; Ngassapa, O.; Runyoro, D.; Chinou, I., Composition and antimicrobial activity of the essential oils of three Satureja species growing in Tansania, Food Chem., 2007, 103, 2, 319-324, https://doi.org/10.1016/j.foodchem.2006.07.051 . [all data]

Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P., Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley, J. Essent. Oil. Res., 2006, 18, 2, 170-174, https://doi.org/10.1080/10412905.2006.9699058 . [all data]

Lee, Lee, et al., 2005
Lee, K.-G.; Lee, S.-E.; Takeoka, G.R.; Kim, J.-H.; Park, B.-S., Antioxidant activity and characterization of volatile constituents of beechwood creosote, J. Sci. Food Agric., 2005, 85, 9, 1580-1586, https://doi.org/10.1002/jsfa.2156 . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Sajjadi and Ghannadi, 2005
Sajjadi, S.-E.; Ghannadi, A., Essential oil of the Persian sage, Salvia rhytidea Benth., Acta Pharm. Sin., 2005, 55, 321-326. [all data]

Blanc, Muselli, et al., 2004
Blanc, M.-C.; Muselli, A.; Bradesi, P.; Casanova, J., Chemical composition and variability of the essential oil of Inula graveolens from Corsica, Flavour Fragr. J., 2004, 19, 4, 314-319, https://doi.org/10.1002/ffj.1304 . [all data]

Ueno, Masuda, et al., 2004
Ueno, T.; Masuda, H.; Ho, C.-T., Formation mechanism of p-methylacetophenone from citral via a tert-alkoxy radical intermediate, J. Agric. Food Chem., 2004, 52, 18, 5677-5684, https://doi.org/10.1021/jf035517j . [all data]

Couladis, Özcan, et al., 2003
Couladis, M.; Özcan, M.; Tzakou, O.; Akgül, A., Comparative essential oil composition of various parts of the turpentine tree (Pistacia terebinthus L) growing wild in Turkey, J. Sci. Food Agric., 2003, 83, 2, 136-138, https://doi.org/10.1002/jsfa.1295 . [all data]

Masotti, Juteau, et al., 2003
Masotti, V.; Juteau, F.; Bessière, J.M.; Viano, J., Seasonal and phenological variations of the essential oil from the narrow endemic species Artemisia molinieri and its biological activities, J. Agric. Food Chem., 2003, 51, 24, 7115-7121, https://doi.org/10.1021/jf034621y . [all data]

Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J., Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone, Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0 . [all data]

Zoghbi, Andrade, et al., 2003
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.; Carreira, L.M.M.; Maia, J.G.S., Essential oils from three Myrcia species, Flavour Fragr. J., 2003, 18, 5, 421-424, https://doi.org/10.1002/ffj.1242 . [all data]

Maia, Zoghbi, et al., 2002
Maia, J.G.S.; Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.L.; Luz, A.I.R.; da Silva, J.D., Essential oils composition of Eupatorium species growing wild in the Amazon, Biochem. Syst. Ecol., 2002, 30, 11, 1071-1077, https://doi.org/10.1016/S0305-1978(02)00059-5 . [all data]

Tellez, Khan, et al., 2002
Tellez, M.R.; Khan, I.A.; Kobaisy, M.; Schrader, K.K.; Dayan, F.E.; Osbrink, W., Composition of the essential oil of Lepidium meyenii (Walp.), Phytochemistry, 2002, 61, 2, 149-155, https://doi.org/10.1016/S0031-9422(02)00208-X . [all data]

Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W., Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand, Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68 . [all data]

Tellez, Canel, et al., 1999
Tellez, M.R.; Canel, C.; Rimando, A.M.; Duke, S.O., Differential accumulation of isoprenoids in glanded and glandless Artemisia annua L, Phytochemistry, 1999, 52, 6, 1035-1040, https://doi.org/10.1016/S0031-9422(99)00308-8 . [all data]

MacLeod, MacLeod, et al., 1988, 2
MacLeod, A.J.; MacLeod, G.; Subramanian, G., Volatile aroma constitutents of celery, Phytochemistry, 1988, 27, 2, 373-375, https://doi.org/10.1016/0031-9422(88)83101-7 . [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Custer, 2009
Custer, Y., GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]

Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F., Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725 . [all data]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [all data]

Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N., Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003 . [all data]

Ebrahimi and Hadjmohammadi, 2006
Ebrahimi, P.; Hadjmohammadi, M.R., Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN, QSAR Comb. Sci., 2006, 25, 10, 836-845, https://doi.org/10.1002/qsar.200530145 . [all data]

Senatore, Apostolides Arnold, et al., 2006
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.; Formisano, C., Chemical composition of the essential oil of Salvia microstegia Boiss. et Balansa growing wild in Lebanon, J. Chromatogr. A, 2006, 1108, 2, 276-278, https://doi.org/10.1016/j.chroma.2006.01.066 . [all data]

Bagci and Baser, 2005
Bagci, E.; Baser, K.H.C., Study of the essential oils of Thymus haussknechtii Velen and Thymus kotschyanus Boiss. et Hohen var. kotschyanus (Lamiaceae) taxa from the eastern Anatolian region in Turkey, Flavour Fragr. J., 2005, 20, 2, 199-202, https://doi.org/10.1002/ffj.1397 . [all data]

Couladis, Özcan, et al., 2004
Couladis, M.; Özcan, M.; Tzakou, O.; Akgül, A., Menengic (Pistacia terebinthus L.) agacinin degisik organlarinda ucucu yag bilesimi, Bitkisel Ilac Hammaddeleri Toplantisi, Bildiriler, 29-31 Mayis 2002, 2004, 6. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Guyot, Bouseta, et al., 1998
Guyot, C.; Bouseta, A.; Scheirman, V.; Collin, S., Floral origin markers of chestnut and lime tree honeys, J. Agric. Food Chem., 1998, 46, 2, 625-633, https://doi.org/10.1021/jf970510l . [all data]

Masanetz and Grosch, 1998
Masanetz, C.; Grosch, W., Key odorants of parsley leaves (Petroselinum crispum [Mill.] Nym. ssp. crispum) by odour-activity values, Flavour Fragr. J., 1998, 13, 2, 115-124, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<115::AID-FFJ706>3.0.CO;2-6 . [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H., Constituents of commercial Labdanum oil, Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I . [all data]

Weyerstahl, Marschall, et al., 1998, 2
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C., Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe, Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F . [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Blank, Fischer, et al., 1989
Blank, I.; Fischer, K.-H.; Grosch, W., Intensive neutral odourants of linden honey, Z. Lebensm. Unters. Forsch., 1989, 189, 5, 426-433, https://doi.org/10.1007/BF01028316 . [all data]

Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G., Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties, Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056 . [all data]

Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C., Analysis of the essential oil of Lippia graveolens HBK from El Salvador, Flavour Fragr. J., 2001, 16, 3, 219-226, https://doi.org/10.1002/ffj.984 . [all data]

Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J., Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits, J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s . [all data]

Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F., Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki, Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]

Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F., UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok), Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481 . [all data]

Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F., Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS), J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x . [all data]

Baser, Demirci, et al., 2009
Baser, K.H.C.; Demirci, B.; Kurkcuoglu, M.; Satin, F.; Tumen, G., Comparative morphological and phytochemical charactertization of Salvia cadmica and S. smyrnaea, Pak. J. Bot., 2009, 41, 4, 1545-1555. [all data]

Baser K.H.C., Ozek G., et al., 2006
Baser K.H.C.; Ozek G.; Ozek T.; Duran A., Composition of the essential oil of Centaurea huber-morathii Wagenitz isolated from seeds by microdistillation, Flavour Fragr. J., 2006, 21, 3, 568-570, https://doi.org/10.1002/ffj.1620 . [all data]

Erdurak, Coskun, et al., 2006
Erdurak, C.S.; Coskun, M.; Demirci, B.; Baser, K.H.C., Composition of the essential oil of fruits and roots of Ferulago isaurica Pesmen and F. syriaca Boiss. (Umbelliferae) from Turkey, Flavour Fragr. J., 2006, 21, 1, 118-121, https://doi.org/10.1002/ffj.1540 . [all data]

Kürkçüoglu, Hüsnü Can Baser, et al., 2006
Kürkçüoglu, M.; Hüsnü Can Baser, K.; Iscan, G.; Malyer, H.; Kaynak, G., Composition and anticandidal activity of the essential oil of Chaerophyllum byzantinum Boiss., Flavour Fragr. J., 2006, 21, 1, 115-117, https://doi.org/10.1002/ffj.1539 . [all data]

Suleimenov Y.M., Atazhanova G.A., et al., 2006
Suleimenov Y.M.; Atazhanova G.A.; Ozek T.; Demirci B.; Kulyyasov A.T.; Adekenov S.M.; Baser K.H.C., Essential oil composition of three species of Achillea from Kazakhstan, Chem. Nat. Compd. (Engl. Transl.), 2006, 37, 5, 447-450, https://doi.org/10.1023/A:1014471326724 . [all data]

Demirci, Demirci, et al., 2005
Demirci, B.; Demirci, F.; Dönmez, A.A.; Franz, G.; Paper, D.H.; Baser, K.H.C., Effects of Salvia essential oils on the chorioallantoic membrane (CAM) assay, Pharm. Biol., 2005, 43, 8, 666-671, https://doi.org/10.1080/13880200500383397 . [all data]

Sezik E., Kocakulak E., et al., 2005
Sezik E.; Kocakulak E.; Baser K.H.C.; Ozek T., Composition of the essential oils of Juniperus oxycedrus subsp macrocarpa from Turkey, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 352-354, https://doi.org/10.1007/s10600-005-0149-0 . [all data]

Tabanca, Demirci, et al., 2005
Tabanca, N.; Demirci, B.; Kirimer, N.; Baser, K.H.C.; Bedir, E.; Khand, I.A.; Wedge, D.E., Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella aurea, Pimpinella corymbosa, Pimpinella peregrina and Pimpinella puberula gathered from Eastern and Southern Turkey, J. Chromatogr. A, 2005, 1097, 1-2, 192-198, https://doi.org/10.1016/j.chroma.2005.10.047 . [all data]

Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F., Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey, J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728 . [all data]

Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C., Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey, Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677 . [all data]

Kaya, Demirci, et al., 2003
Kaya, A.; Demirci, B.; Baser, K.H.C., The essential oil of Seseli tortuosum L. growing in Turkey, Flavour Fragr. J., 2003, 18, 2, 159-161, https://doi.org/10.1002/ffj.1162 . [all data]

Piasenzotto, Gracco, et al., 2003
Piasenzotto, L.; Gracco, L.; Conte, L., Solid phase microextraction (SPME) applied to honey quality control, J. Sci. Food Agric., 2003, 83, 10, 1037-1044, https://doi.org/10.1002/jsfa.1502 . [all data]

Baser, Demirci, et al., 2001
Baser, K.H.C.; Demirci, B.; Tabanca, N.; Özek, T.; Gören, N., Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. fil.) Grierson and the enantiomeric distribution of camphor and carvone, Flavour Fragr. J., 2001, 16, 3, 195-200, https://doi.org/10.1002/ffj.977 . [all data]

Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N., Essential oil composition of sea fennel (Crithmum maritimum) form Turkey, Nahrung/Food, 2001, 45, 5, 353-356, https://doi.org/10.1002/1521-3803(20011001)45:5<353::AID-FOOD353>3.0.CO;2-4 . [all data]

Saglam, Gozler, et al., 2001
Saglam, H.; Gozler, T.; Kivcak, B.; Demirci, B.; Baser, K.H.C., Volatile compounds from Haplophyllum myrtifolium, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 442-444, https://doi.org/10.1023/A:1014467225815 . [all data]

Tabanca, Kirimer, et al., 2001
Tabanca, N.; Kirimer, N.; Can Baser, K.H., The composition of essential oils from two varieties of Sideritis erythrantha var. erythrantha and var. cedretorum, Turk. J. Chem., 2001, 25, 201-208. [all data]

Tabanca, Kirimer, et al., 2001, 2
Tabanca, N.; Kirimer, N.; Demirci, B.; Demirci, F.; Can Baser, K.H., Composition and antimicrobial activity of the essential oils of Micromeria cristata subsp. phrygia and the enantiomeric distribution of borneol, J. Agric. Food Chem., 2001, 49, 9, 4300-4303, https://doi.org/10.1021/jf0105034 . [all data]

Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H., Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey, Flavour Fragr. J., 2000, 15, 1, 45-46, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<45::AID-FFJ867>3.0.CO;2-L . [all data]

Baser, Tabanca, et al., 2000
Baser, K.H.C.; Tabanca, N.; Özek, T.; Demirci, B.; Duran, A.; Duman, H., Composition of the essential oil of Chaerophyllum aksekiense A. Duran et Duman, a recently described endemic from Turkey, Flavour Fragr. J., 2000, 15, 1, 43-44, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<43::AID-FFJ864>3.0.CO;2-# . [all data]

Bagci, Baser, et al., 1999
Bagci, E.; Baser, K.H.C.; Kürkcüoglu, M.; Babac, T.; Celik, S., Study of the essential oil composition of two subspecies of Abies cilicica (Ant. et Kotschy) Carr. from Turkey, Flavour Fragr. J., 1999, 14, 1, 47-49, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<47::AID-FFJ782>3.0.CO;2-R . [all data]

Baser, Kürkcüoglu, et al., 1998
Baser, K.H.C.; Kürkcüoglu, M.; Aytac, Z., Composition of the essential oil of Salvia euphratica Montbret ex Bentham var. euphratica from Turkey, Flavour Fragr. J., 1998, 13, 1, 63-64, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<63::AID-FFJ694>3.0.CO;2-Z . [all data]

Vernin, 1991
Vernin, G., Volatile constituents of the essential oil of Santolina chamaecyparissus L., J. Essent. Oil Res., 1991, 3, 1, 49-53, https://doi.org/10.1080/10412905.1991.9697907 . [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References