2-Heptanol
- Formula: C7H16O
- Molecular weight: 116.2013
- IUPAC Standard InChI: InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
- IUPAC Standard InChIKey: CETWDUZRCINIHU-UHFFFAOYSA-N
- CAS Registry Number: 543-49-7
- 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. - Stereoisomers:
- Other names: s-Heptyl alcohol; Amyl methyl carbinol; Methyl amyl carbinol; 2-Heptyl alcohol; 2-Hydroxyheptane; CH3(CH2)4CHOHCH3; Heptanol-2; n-Heptan-2-ol; Heptan-2-ol; 1-Methylhexanol; NSC 2220
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Normal alkane RI, polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax CB | VF-Wax MS | DB-Wax | CP-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 30. | 60. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 80. | 50. | 40. |
| Tend (C) | 150. | 220. | 240. | 230. | 230. |
| Heat rate (K/min) | 2. | 3. | 3. | 6. | 3. |
| Initial hold (min) | 5. | 2. | 2. | ||
| Final hold (min) | 5. | 25. | 2. | 15. | 5. |
| I | 1328. | 1315. | 1313. | 1312. | 1316. |
| Reference | Alves, da Penha, et al., 2012 | Duarte, Dias, et al., 2010 | Vahirua-Lechat, Mitermite, et al., 2010 | Mo, Fan, et al., 2009 | Zhao, Xu, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | RTX-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | He | He | H2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 30. | 40. | 40. | 40. | 40. |
| Tend (C) | 210. | 220. | 230. | 230. | 230. |
| Heat rate (K/min) | 5. | 10. | 4. | 4. | 6. |
| Initial hold (min) | 5. | 5. | 2. | 2. | |
| Final hold (min) | 10. | 25. | 15. | 15. | |
| I | 1316. | 1286. | 1328. | 1318. | 1319. |
| Reference | Kumazawa, Itobe, et al., 2008 | Prososki, Etzel, et al., 2007 | Strohalm, Dregus, et al., 2007 | Fan and Qian, 2006 | Fan and Qian, 2006, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | Supelcowax-10 | DB-Wax | Stabilwax DA | DB-Wax |
| Column length (m) | 50. | 30. | 30. | 60. | 60. |
| Carrier gas | H2 | He | N2 | Nitrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.50 |
| Tstart (C) | 45. | 50. | 40. | 40. | 35. |
| Tend (C) | 230. | 220. | 230. | 180. | 235. |
| Heat rate (K/min) | 3. | 4. | 4. | 5. | 2. |
| Initial hold (min) | 1. | 1. | 2. | 5. | 4. |
| Final hold (min) | 15. | 10. | 5. | 30. | |
| I | 1320. | 1320. | 1310. | 1326. | 1344. |
| Reference | La Guerche S., Dauphin B., et al., 2006 | Wong, Lim, et al., 2006 | Fan and Qian, 2005 | Nogueira, Lubachevsky, et al., 2005 | Qian and Wang, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PEG-20M | DB-Wax | DB-Wax | DB-Wax | HP-Wax |
| Column length (m) | 50. | 30. | 30. | 30. | 60. |
| Carrier gas | H2 | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.20 | 0.5 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 40. | 50. | 30. | 40. | 40. |
| Tend (C) | 180. | 200. | 250. | 250. | 190. |
| Heat rate (K/min) | 3. | 3. | 4. | 8. | 3. |
| Initial hold (min) | 5. | 10. | 1. | 5. | 6. |
| Final hold (min) | 30. | 10. | 5. | ||
| I | 1322. | 1334. | 1326. | 1321. | 1332. |
| Reference | Narain, Almeida, et al., 2004 | Alves and Franco, 2003 | Tanaka, Yamauchi, et al., 2003 | Fu, Yoon, et al., 2002 | Sanz, Maeztu, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | HP-Wax | Carbowax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 50. | 30. | 30. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 40. | 80. | 20. | 50. |
| Tend (C) | 180. | 190. | 200. | 200. | 200. |
| Heat rate (K/min) | 3. | 3. | 1. | 4. | 4. |
| Initial hold (min) | 6. | 4. | 4. | ||
| Final hold (min) | 40. | 20. | 10. | 10. | |
| I | 1332. | 1332. | 1280. | 1304. | 1318. |
| Reference | Lee and Shibamoto, 2001 | Sanz, Ansorena, et al., 2001 | Menon, Chacko, et al., 1999 | Morales, Albarracín, et al., 1996 | Morales, Albarracín, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | TC-Wax | Carbowax 20M | SP-1000 | DB-Wax | Carbowax 20M |
| Column length (m) | 60. | 80. | 25. | 60. | 150. |
| Carrier gas | N2 | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.2 | 0.32 | 0.64 |
| Phase thickness (μm) | 0.43 | ||||
| Tstart (C) | 80. | 70. | 60. | 50. | 50. |
| Tend (C) | 240. | 170. | 190. | 250. | 170. |
| Heat rate (K/min) | 3. | 2. | 4. | 4. | 1. |
| Initial hold (min) | 5. | 0.1 | 30. | ||
| Final hold (min) | 30. | 5. | |||
| I | 1311. | 1284. | 1322. | 1315. | 1290. |
| Reference | Shuichi, Masazumi, et al., 1996 | Anker, Jurs, et al., 1990 | De Llano D.G., Ramos M., et al., 1990 | Binder and Flath, 1989 | Buttery, Parker, et al., 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 150. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.64 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 170. |
| Heat rate (K/min) | 1. |
| Initial hold (min) | 30. |
| Final hold (min) | |
| I | 1290. |
| Reference | Buttery, Ling, et al., 1980 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Alves, da Penha, et al., 2012
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Aromatic plants of French Polynesia. IV. Composition and chemical variations of the essential oils of leaves of Etlingera cevuga (seeman) R.E. Smith,
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Changes in volatile compounds of Chinese rice wine wheat qu during fermentation and storage,
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Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
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Kumazawa, Itobe, et al., 2008
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A new approach to estimate the in-mouth release characteristics of odorants in chewing gum,
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Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder,
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Strohalm, Dregus, et al., 2007
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Enantioselective analysis of secondary alcohols and their esters in purple and yellow passion fruits,
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Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
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Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
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La Guerche S., Dauphin B., et al., 2006
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Characterization of some mushroom and earthy off-odors microbially induced by the development of rot on grapes,
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Wong, Lim, et al., 2006
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Essential oil of Homalomena sagittifolia Jungh.,
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Fan and Qian, 2005
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Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
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Nogueira, Lubachevsky, et al., 2005
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A study of the volatile composition of Minas cheese,
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Qian and Wang, 2005
Qian, M.C.; Wang, Y.,
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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Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S.,
Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique,
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Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B.,
Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich),
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Tanaka, Yamauchi, et al., 2003
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Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography,
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Fu, Yoon, et al., 2002
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Aroma-actie components in fermented bamboo shoots,
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Sanz, Maeztu, et al., 2002
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Binder and Flath, 1989
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Buttery, Parker, et al., 1981
Buttery, R.G.; Parker, F.D.; Teranishi, R.; Mon, T.R.; Ling, L.C.,
Volatile components of alfalfa leaf-cutter bee cells,
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Volatile of corn tassels: possible corn ear worm attractants,
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Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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