Lauryl acetate

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Phase change data

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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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil538.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Δvap79.6 ± 0.3kJ/molGSKrasnykh, Verevkin, et al., 2006Based on data from 289. to 333. K.; AC
Δvap81.8kJ/molGCKoutek, Hoskovec, et al., 1997Based on data from 333. to 378. K. See also Ova, Koultek, et al., 2000.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
423.20.020Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
70.5413.AStephenson and Malanowski, 1987Based on data from 398. to 540. K.; AC

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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

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Mass spectrum
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Additional Data

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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
NIST MS number 351777

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

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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

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-5170.1606.Svatoz, Kalinová, et al., 199930. m/0.25 mm/0.25 μm
CapillarySE-30160.1596.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30180.1594.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30200.1594.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30220.1591.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
PackedOV-101130.1576.Berezkin and Returnsky, 1984Chromaton N-AW; Column length: 1. m
CapillaryOV-101200.1589.6Komárek, Hornová, et al., 1982N2; Column length: 15. m; Column diameter: 0.22 mm
PackedApiezon L170.1562.Nedopekina, Kovalev, et al., 1981N2, Chromatron N-AW-HMDS; Column length: 2.5 m
PackedSE-30180.1587.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351160.1876.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.1896.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.1898.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351220.1900.Haken and Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
PackedCarbowax 20M180.1868.Zarazir, Chovin, et al., 1970Chromosorb W; Column length: 2. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1880.Buttery, Kamm, et al., 1982He, 50. C @ 30. min, 1. K/min; Column length: 150. m; Column diameter: 0.64 mm; Tend: 170. C

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

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Column type Active phase I Reference Comment
Capillary5 % Phenyl methyl siloxane1620.Zaikin, 201030. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; Tstart: 60. C
CapillaryHP-5MS1611.Vujisic L., Vuckovic I., et al., 200630. m/0.25 mm/0.25 μm, H2, 4.3 K/min; Tstart: 50. C; Tend: 285. C
CapillaryDB-51609.Marques, McElfresh, et al., 200030. m/0.25 mm/0.25 μm, 100. C @ 1. min, 5. K/min, 275. C @ 3. min
CapillaryDB-51610.Song, Sawamura, et al., 200030. m/0.25 mm/0.25 μm, N2, 2. K/min; Tstart: 70. C; Tend: 230. C
PackedSE-301595.van den Dool and Kratz, 1963Celite; Tstart: 75. C; Tend: 228. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1608.5Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryVF-5MS1605.9Zheng and White, 200830. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryHP-51610.Isidorov, Krajewska, et al., 200130. m/0.25 mm/0.25 μm, He; Program: 50C => 6C/min => 100C => 4C/min => 280C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1895.Njoroge, Koaze, et al., 200560. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1880.Marques, McElfresh, et al., 200030. m/0.32 mm/0.25 μm, 100. C @ 1. min, 5. K/min; Tend: 240. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryRTx-11606.Dib, Bendahou, et al., 201060. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryRTX-11585.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryDB-11597.Ouattara, Koudou, et al., 200730. m/0.25 mm/0.15 μm, 3. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-51605.9Svatos, Kalinová, et al., 200130. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 140. C; Tend: 240. C
CapillaryUltra-11592.Okumura, 199125. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTx-11606.Dib, Bendahou, et al., 201060. m/0.22 mm/0.25 μm, Helium; Program: not specified
CapillaryRTX-11580.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium; Program: not specified
CapillaryBPX-51613.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)
CapillaryBPX-51606.se Souza, Cardeal, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-51606.Kalinová, Svatos, et al., 200330. m/0.25 mm/0.25 μm, He; Program: 70 0C (2 min) 4 K/min -> 140 0C 5 K/min -> 220 0C 20 K/min -> 280 0C (5 min)
CapillaryHP-11592.Wakamura, Hattori, et al., 199915. m/0.25 mm/0.25 μm, He; Program: 50 0C (1 min) 20 0C/min -> 100 0C 5 0C/min -> 230 0C (5 min)
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1588.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax1882.Dib, Djabou, et al., 201060. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryDB-Wax1884.Njoroge, Koaze, et al., 2005, 260. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1883.Choi, 200460. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryInnowax1893.Kaya, Baser, et al., 199960. m/0.25 mm/0.25 μm, He, 60. C @ 10. min; Tend: 220. C
PackedCarbowax 20M-TPA1893.Szymanowski, Kusz, et al., 1989Ar, Chromosorb W AW DMCS, 100. C @ 1. min, 5. K/min; Column length: 1.6 m; Tend: 220. C
CapillaryCarbowax 20M1880.Buttery, Kamm, et al., 19841. K/min, 170. C @ 30. min; Column length: 150. m; Column diameter: 0.64 mm; Tstart: 50. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax FSC1893.Tabanca, Demirci, et al., 200660. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1893.Demirci, Baser, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryDB-Wax1891.Wakamura, Hattori, et al., 199930. m/0.25 mm/0.25 μm, He; Program: 50 0C (1 min) 20 0C/min -> 100 0C 5 0C/min -> 230 0C (5 min)

References

Go To: Top, Phase change 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.

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]

Krasnykh, Verevkin, et al., 2006
Krasnykh, Eugen L.; Verevkin, Sergey P.; Koutek, Bohumir; Doubsky, Jan, Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates, The Journal of Chemical Thermodynamics, 2006, 38, 6, 717-723, https://doi.org/10.1016/j.jct.2005.08.003 . [all data]

Koutek, Hoskovec, et al., 1997
Koutek, Bohumír; Hoskovec, Michal; Vrkocová, Pavlína; Feltl, Ladislav, Gas chromatographic determination of vapour pressures of pheromone-like compounds IV. Acetates, a reinvestigation, Journal of Chromatography A, 1997, 759, 1-2, 93-109, https://doi.org/10.1016/S0021-9673(96)00775-3 . [all data]

Ova, Koultek, et al., 2000
Ova, P.V.; Koultek, B.; Hoskovec, M., Practice Oriented Results on Use and Production of Neem Ingredients and Pheromones VI, H. Kleeberg and C.P.W. Zebitz, ed(s)., Druck and Graphic, Giessen, 2000, 211-218. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 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]

Svatoz, Kalinová, et al., 1999
Svatoz, A.; Kalinová, B.; Hoskovec, M.; Kindl, J.; Hovorka, O.; Hrdý, I., Identification of a new lepidopteran sex pheromone in picogram quantities using an antennal biodetector: (8E, 10Z)-tetradeca-8,10-dienal from Cameraria ohridella, Tetrahedron Lett., 1999, 40, 38, 7011-7014, https://doi.org/10.1016/S0040-4039(99)01426-4 . [all data]

Haken and Korhonen, 1986
Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXXII. Capillary chromatography of C1-C18 monochlorinated n-alkyl acetates, J. Chromatogr., 1986, 356, 79-94, https://doi.org/10.1016/S0021-9673(00)91468-7 . [all data]

Berezkin and Returnsky, 1984
Berezkin, V.G.; Returnsky, V.N., Calculation of invariant retention indices for a series of aliphatic alcohols and acetates by consideration of adsorption at the interface, J. Chromatogr., 1984, 292, 1, 9-17, https://doi.org/10.1016/S0021-9673(01)96185-0 . [all data]

Komárek, Hornová, et al., 1982
Komárek, K.; Hornová, L.; Churácek, J., Glass capillary gas chromatography of homologous series of esters. Separation of homologous series of esters of halogenated carboxylic acids on a glass capillary column with the non-polar stationary silicone phase OV-101, J. Chromatogr., 1982, 244, 1, 142-147, https://doi.org/10.1016/S0021-9673(00)80131-4 . [all data]

Nedopekina, Kovalev, et al., 1981
Nedopekina, S.F.; Kovalev, B.G.; Kost, A.N., Use of Kovats indices for idetifying sex pheromones, Chem. Nat. Compd. (Engl. Transl.), 1981, 17, 4, 376-380, https://doi.org/10.1007/BF01185272 . [all data]

Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018 . [all data]

Buttery, Kamm, et al., 1982
Buttery, R.G.; Kamm, J.A.; Ling, L.C., Volatile components of alfalfa flowers and pods, J. Agric. Food Chem., 1982, 30, 4, 739-742, https://doi.org/10.1021/jf00112a028 . [all data]

Zaikin, 2010
Zaikin, V.G., Personal communication: Retention indices measured during 2010, 2010. [all data]

Vujisic L., Vuckovic I., et al., 2006
Vujisic L.; Vuckovic I.; Tesevic V.; Dokovic D.; Ristic M.S.; Janackovic P.; Milosavljevic S., Comparative examination of the essential oils of Anthemis ruthenica and A-arvensis wild-growing in Serbia, Flavour Fragr. J., 2006, 21, 3, 458-461, https://doi.org/10.1002/ffj.1681 . [all data]

Marques, McElfresh, et al., 2000
Marques, F.A.; McElfresh, J.S.; Millar, J.G., Kováts retention indexes of monounsaturated C12, C14, and C16 alcohols, acetates and aldehydes commonly found in lepidopteran pheromone blends, J. Braz. Chem. Soc., 2000, 11, 6, 592-599, https://doi.org/10.1590/S0103-50532000000600007 . [all data]

Song, Sawamura, et al., 2000
Song, H.S.; Sawamura, M.; Ito, T.; Ido, A.; Ukeda, H., Quantitative determination and characteristic flavour of daidai (Citrus aurantium L. var. cyathifera Y. Tanaka) peel oil, Flavour Fragr. J., 2000, 15, 5, 323-328, https://doi.org/10.1002/1099-1026(200009/10)15:5<323::AID-FFJ918>3.0.CO;2-J . [all data]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Zheng and White, 2008
Zheng, Y.; White, E., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [all data]

Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya, J. Agric. Food Chem., 2005, 53, 25, 9790-9794, https://doi.org/10.1021/jf051373s . [all data]

Dib, Bendahou, et al., 2010
Dib, M.A.; Bendahou, M.; Bendiabdellah, A.; Djabou, N.; Allali, H.; Tabti, B.; Paolini, J.; Costa, J., Partial chemical composition and antimicrobial activity of Daucus crinitus Desf. extracts, Grasas y Aceites, 2010, 61, 3, 271-278, https://doi.org/10.3989/gya.122609 . [all data]

Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J., Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation, Chem, Centr. J., 2010, 4, 16, 1-15. [all data]

Ouattara, Koudou, et al., 2007
Ouattara, L.; Koudou, J.; Obame, L.C.E.; Karou, D.S.; Traore, A.; Bessiere, J.M., Chemical composition and antibacterial activity of Cochlospermum planchoni Hook. f. ex Planch essential oil from Burkina Faso, Pakistan J. Biol. Sci., 2007, 10, 22, 4177-4179, https://doi.org/10.3923/pjbs.2007.4177.4179 . [all data]

Svatos, Kalinová, et al., 2001
Svatos, A.; Kalinová, B.; Hoskovec, M.; Kindl, J.; Hovorka, O.; Hrdy, I., Identification of Cameraria ohridella sex pheromone and its possible use in horse chestnut protection, IOBC Bull., 2001, 24, 2, 5-12. [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J., Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways, J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061 . [all data]

Kalinová, Svatos, et al., 2003
Kalinová, B.; Svatos, A.; Kindl, J.; Hovorka, O.; Hrdý, I.; Kuldova, J.; Hoskovec, M., Sex pheromone of horse-chestnut leafminer Cameraria ohridella and its use in a pheromone-based monitoring system, J. Chem. Ecol., 2003, 29, 2, 387-404, https://doi.org/10.1023/A:1022686029051 . [all data]

Wakamura, Hattori, et al., 1999
Wakamura, S.; Hattori, M.; Igita, K.; Yasuda, K.; Tridjaka, Sex pheromone of Etiella behrii, a pod borer of soybean in Indonesia: identification and field attraction, Entomol. Exp. Appl., 1999, 91, 3, 413-420, https://doi.org/10.1046/j.1570-7458.1999.00509.x . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Njoroge, Koaze, et al., 2005, 2
Njoroge, S.M.; Koaze, H.; Mwaniki, M.; Minh Tu, N.T.; Sawamura, M., Essential oils of Kenyan Citrus fruits: volatile components of two varieties of mandarins (Citrus reticulata) and a tangelo (C. paradisi × C. tangerina), Flavour Fragr. J., 2005, 20, 1, 74-79, https://doi.org/10.1002/ffj.1376 . [all data]

Choi, 2004
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F., The essential oil of Acinos alpinus (L.) Moench growing in Turkey, Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q . [all data]

Szymanowski, Kusz, et al., 1989
Szymanowski, J.; Kusz, P.; Dziwinski, E.; Szewczyk, H.; Pyzalski, K., Degradation and Analysis of Polyoxyethylene Monoalkyl Ethers in the Presence of Acetyl Chloride and Ferric Chloride, J. Chromatogr., 1989, 469, 197-208, https://doi.org/10.1016/S0021-9673(01)96455-6 . [all data]

Buttery, Kamm, et al., 1984
Buttery, R.G.; Kamm, J.A.; Ling, L.C., Volatile components of red clover leaves, flowers, and seed pods: possible insect attractants, J. Agric. Food Chem., 1984, 32, 2, 254-256, https://doi.org/10.1021/jf00122a019 . [all data]

Tabanca, Demirci, et al., 2006
Tabanca, N.; Demirci, B.; Ozek, T.; Kirimer, N.; Can Baser, K.H.; Bedir, E.; Khan, I.A.; Wedge, D.E., Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella species gathered from Central and Northern Turkey, J. Chromatogr. A, 2006, 1117, 2, 194-205, https://doi.org/10.1016/j.chroma.2006.03.075 . [all data]

Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z., Composition of the essential oils of six endemic Salvia spp. from Turkey, Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173 . [all data]


Notes

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