5-Hepten-2-ol, 6-methyl-
- Formula: C8H16O
- Molecular weight: 128.2120
- IUPAC Standard InChIKey: OHEFFKYYKJVVOX-UHFFFAOYSA-N
- CAS Registry Number: 1569-60-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Other names: 6-Methyl-5-hepten-2-ol; 6-methylhept-5-en-2-ol; 2-Methyl-2-hepten-6-ol; (.+/-.)-6-Methyl-5-hepten-2-ol; Sulcatol; NSC 66273; Methylheptenol; DL-6-Methyl-5-hepten-2-ol; 6-Methylhept-5-en-2-ol (Sulcatol)
- Information on this page:
- Other data available:
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Phase change data
Go To: Top, 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.
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
315.1 to 447.5 | 6.98845 | 3173.202 | 6.856 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
IR Spectrum
Go To: Top, Phase change data, 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
Gas Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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Download spectrum in JCAMP-DX format.
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 |
Gas Chromatography
Go To: Top, Phase change data, IR Spectrum, 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, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 8 CB | 979. | Tayoub, Schwob, et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C |
Capillary | CP Sil 8 CB | 979. | Tayoub, Schwob, et al., 2006, 2 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Petro | 973.1 | Pang T., Zhu S., et al., 2007 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C |
Capillary | DB-Petro | 973.1 | Pang T., Zhu S., et al., 2007 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C |
Capillary | RTX-5 | 993. | Dugo, Mondello, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 300. C @ 10. min |
Capillary | HP-5 | 994. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-Wax | 1464. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min |
Capillary | DB-Wax | 1468. | Wirth, Guo, et al., 2001 | 30. m/0.32 mm/0.5 μm, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | DB-Wax | 1468. | Wirth, Guo, et al., 2001 | 30. m/0.32 mm/0.5 μm, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | Supelcowax-10 | 1466. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 1469. | Sumitani, Suekane, et al., 1994 | He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 1451. | Humpf and Schreier, 1991 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 58CB | 1446. | Pabst, Barron, et al., 1991 | 30. m/0.25 mm/0.22 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | Carbowax 20M | 1465. | Chen and Ho, 1988 | He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SOLGel-Wax | 1461. | Aubert, Baumann, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min) |
Capillary | DB-Wax | 1454. | Cantergiani, Brevard, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 985. | Pino, Marbot, et al., 2006 | 30. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C |
Capillary | HP-5MS | 995. | Setzer, Noletto, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C |
Capillary | HP-1 | 975. | Valette, Fernandez, et al., 2006 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C |
Capillary | RSL-200 | 963. | Jirovetz, Buchbauer, et al., 2005 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 6. K/min, 280. C @ 10. min |
Capillary | HP-5 | 1002.9 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | HP-5 | 993. | Shafi, Nambiar, et al., 2004 | 25. m/0.2 mm/0.5 μm, N2, 3. K/min; Tstart: 30. C; Tend: 280. C |
Capillary | SPB-5 | 997. | Ledauphin, Guichard, et al., 2003 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 5. K/min, 220. C @ 20. min |
Capillary | DB-1 | 974. | Buttery, Teranishi, et al., 1990 | He, 30. C @ 25. min, 4. K/min, 200. C @ 5. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | DB-1 | 974. | Flath, Mon, et al., 1983 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane with 5 % Ph groups | 993. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 998. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | RTX-5 MS | 995. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0C |
Capillary | RTX-5 MS | 992. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 995. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
Capillary | HP-5 | 997. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | 5 % Phenyl methyl siloxane | 993. | Beaulieu J.C. and Lea J.M., 2006 | 30. m/0.25 mm/0.75 μm; Program: 50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax | 1466. | Joichi, Yomogida, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 5. K/min, 240. C @ 30. min; Tstart: 60. C |
Capillary | DB-Wax | 1488. | Qian and Wang, 2005 | 60. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min |
Capillary | RTX-Wax | 1466. | Galindo-Cuspinera, Lubran, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min |
Capillary | DB-Wax | 1460. | Osorio, Duque, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
Capillary | DB-Wax | 1462. | Osorio, Duque, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
Capillary | DB-Wax | 1473. | Lee and Shibamoto, 2000 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
Capillary | DB-Wax | 1468. | Umano, Nakahara, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | DB-Wax | 1462. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | Supelcowax-10 | 1452. | Girard and Lau, 1995 | 90. m/0.25 mm/0.25 μm, He, 35. C @ 20. min, 2. K/min, 220. C @ 30. min |
Capillary | Supelcowax-10 | 1471. | Hamilton-Kemp, Andersen, et al., 1988 | 60. C @ 1. min, 3. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelco CO Wax-10 | 1471. | Prompona, Kandylis, et al., 2012 | 60. m/0.32 mm/0.25 μm, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) |
Capillary | DB-FFAP | 1443. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C |
Capillary | DB-FFAP | 1443. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax-10 | 1431. | Kourkoutas, Bosnea, et al., 2006 | 60. m/0.32 mm/0.25 μm, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) |
Capillary | HP-Innowax | 1467. | Baser, Demirci, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C |
Capillary | Supelcowax 10 | 1450. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) |
Capillary | Supelcowax 10 | 1454. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | CP-Wax 52 CB | 1473. | Carro Marino, López Tamames, et al., 1995 | H2; Column length: 30. m; Column diameter: 0.32 mm; Program: 60 0C 2 0C/min -> 220 0C 3 0C/min -> 245 0C |
Capillary | DB-Wax | 1478. | Marlatt, Ho, et al., 1992 | 30. m/0.25 mm/0.25 μm; Program: not specified |
References
Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
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Tayoub, Schwob, et al., 2006, 2
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Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France,
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Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
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Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
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Bound aroma compounds from the fruit and the leaves of blackberry (Rubus laciniata L.),
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Gas chromatographic analysis of volatile components of ginger oil (Zingiber officinale Roscoe) extracted with liquid carbon dioxide,
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Leffingwell and Alford, 2005
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Beaulieu J.C. and Lea J.M., 2006
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Qian and Wang, 2005
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Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
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Galindo-Cuspinera, Lubran, et al., 2002
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Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts,
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Osorio, Duque, et al., 2002
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Lee and Shibamoto, 2000
Lee, K.-G.; Shibamoto, T.,
Antioxidant properties of aroma compounds isolated from soybeans and mung beans,
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Castioni and Kapetanidis, 1996
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Notes
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