2-Butanol
- Formula: C4H10O
- Molecular weight: 74.1216
- IUPAC Standard InChI: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
- IUPAC Standard InChIKey: BTANRVKWQNVYAZ-UHFFFAOYSA-N
- CAS Registry Number: 78-92-2
- 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:
- Stereoisomers:
- Other names: sec-Butyl Alcohol; sec-Butanol; CCS 301; Ethyl methyl carbinol; Methyl ethyl carbinol; 1-Methyl-1-propanol; 1-Methylpropyl alcohol; 2-Hydroxybutane; sec-C4H9OH; Butane, 2-hydroxy-; Butanol-2; Butan-2-ol; 2-Butyl alcohol; s-Butyl alcohol; Butylene hydrate; DL-sec-Butanol; DL-2-Butanol; Alcool butylique secondaire; Butanol secondaire; s-Butanol; 1-Methyl propanol; n-Butan-2-ol; NSC 25499
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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 | HP-FFAP | AT-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 25. | 60. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 60. | 40. | 30. | 30. |
| Tend (C) | 220. | 280. | 230. | 200. | 200. |
| Heat rate (K/min) | 15. | 4. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 4. | 4. | ||
| Final hold (min) | 5. | 30. | 30. | ||
| I | 1029. | 1019. | 1028. | 1027. | 1032. |
| Reference | Wanakhachornkrai and Lertsiri, 9999 | Kiss, Csoka, et al., 2011 | Zhao, Xu, et al., 2009 | Beck, Higbee, et al., 2008 | Beck, Higbee, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | Stabilwax | Stabilwax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | N2 | N2 | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.5 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 230. | 230. | 230. | 280. | 280. |
| Heat rate (K/min) | 4. | 6. | 4. | 6. | 6. |
| Initial hold (min) | 2. | 2. | 2. | 5. | 5. |
| Final hold (min) | 15. | 15. | 5. | 5. | 5. |
| I | 1020. | 1022. | 1022. | 998. | 998. |
| Reference | Fan and Qian, 2006 | Fan and Qian, 2006, 2 | Fan and Qian, 2005 | Jirovetz, Buchbauer, et al., 2005 | Jirovetz, Buchbauer, et al., 2005, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | DB-Wax | ZB-Wax | ZB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 30. | 30. | 30. |
| Carrier gas | He | Nitrogen | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 35. | 40. | 40. | 50. |
| Tend (C) | 240. | 235. | 250. | 250. | 180. |
| Heat rate (K/min) | 5. | 2. | 5. | 5. | 3. |
| Initial hold (min) | 4. | 2. | 2. | ||
| Final hold (min) | 30. | 30. | 5. | 5. | 40. |
| I | 1017. | 1045. | 1022. | 1030. | 1030. |
| Reference | Joichi, Yomogida, et al., 2005 | Qian and Wang, 2005 | N/A | N/A | Yanagimoto, Ochi, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | HP-FFAP | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 25. | 30. | 30. | 30. |
| Carrier gas | H2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 45. | 40. | 50. | 50. |
| Tend (C) | 200. | 220. | 250. | 220. | 220. |
| Heat rate (K/min) | 3. | 15. | 8. | 4. | 4. |
| Initial hold (min) | 10. | 5. | 4. | 4. | |
| Final hold (min) | 10. | 5. | 20. | 20. | |
| I | 1046. | 1029. | 988. | 1000. | 980. |
| Reference | Alves and Franco, 2003 | Wanakhachornkrai and Lertsiri, 2003 | Fu, Yoon, et al., 2002 | Osorio, Duque, et al., 2002 | Osorio, Duque, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-FFAP | TC-Wax | DB-Wax | HP-Wax | DB-Wax |
| Column length (m) | 25. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | Nitrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.52 | 0.25 | 0.25 | 0.5 | |
| Tstart (C) | 60. | 40. | 40. | 40. | 40. |
| Tend (C) | 240. | 230. | 200. | 190. | 200. |
| Heat rate (K/min) | 5. | 3. | 2. | 3. | 2. |
| Initial hold (min) | 1. | 10. | 2. | 6. | 10. |
| Final hold (min) | 5. | 10. | |||
| I | 1000. | 1022. | 1022. | 1026. | 1001. |
| Reference | Qian and Reineccius, 2002 | Suhardi, Suzuki, et al., 2002 | Umano, Hagi, et al., 2002 | Sanz, Ansorena, et al., 2001 | Tamura, Boonbumrung, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CP-Wax 52CB | DB-Wax |
| Column length (m) | 50. | 30. |
| Carrier gas | H2 | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.53 |
| Phase thickness (μm) | 0.22 | |
| Tstart (C) | 60. | 60. |
| Tend (C) | 190. | 210. |
| Heat rate (K/min) | 2. | 4. |
| Initial hold (min) | 4. | |
| Final hold (min) | 21. | |
| I | 1000. | 1031. |
| Reference | Hwan and Chou, 1999 | Iwatsuki, Mizota, et al., 1999 |
| Comment | MSDC-RI | 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.
Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S.,
Comparison of determination method for volatile compounds in Thai soy sauce,
Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]
Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x
. [all data]
Beck, Higbee, et al., 2008
Beck, J.J.; Higbee, B.S.; Marrill, G.B.; Roitman, J.N.,
Comparison of volatile emissions from undamaged and mechanically damaged almonds,
J, Sci. Food Argic., 2008, 88, 8, 1363-1368, https://doi.org/10.1002/jsfa.3224
. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Fan and Qian, 2006, 2
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
. [all data]
Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Parmentier, M.,
Chemical composition and olfactory characterization of essential oils of fruits and seeds of African pear (Dacryodes edulis (G. Don) H. J. Lam) from Cameroon,
Flavour Fragr. J., 2005, 20, 2, 215-218, https://doi.org/10.1002/ffj.1324
. [all data]
Jirovetz, Buchbauer, et al., 2005, 2
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Balinova, A.; Guangjiun, Z.; Xihan, M.,
Solid phase microextraction/gas chromatographic and olfactory analysis of the scent and fixative properties of the essential oil of Rosa damascena L. from China,
Flavour Fragr. J., 2005, 20, 1, 7-12, https://doi.org/10.1002/ffj.1375
. [all data]
Joichi, Yomogida, et al., 2005
Joichi, A.; Yomogida, K.; Awano, K.; Ueda, Y.,
Volatile components of tea-scented modern roses and ancient Chinese roses,
Flavour Fragr. J., 2005, 20, 2, 152-157, https://doi.org/10.1002/ffj.1388
. [all data]
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,
J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x
. [all data]
Yanagimoto, Ochi, et al., 2004
Yanagimoto, K.; Ochi, H.; Lee, K.-G.; Shibamoto, T.,
Antioxidative activities of fractions obtained from brewed coffee,
J. Agric. Food Chem., 2004, 52, 3, 592-596, https://doi.org/10.1021/jf030317t
. [all data]
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),
J. Chromatogr. A, 2003, 985, 1-2, 297-301, https://doi.org/10.1016/S0021-9673(02)01398-5
. [all data]
Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5
. [all data]
Fu, Yoon, et al., 2002
Fu, S.-G.; Yoon, Y.; Basemore, R.,
Aroma-actie components in fermented bamboo shoots,
J. Agric. Food Chem., 2002, 50, 3, 549-554, https://doi.org/10.1021/jf010883t
. [all data]
Osorio, Duque, et al., 2002
Osorio, C.; Duque, C.; Suarez, M.; Salamanca, L.E.; Uruena, F.,
Free, glycosidically bound, and phosphate bound flavor constituents of badea (Passiflora quadrangularis) fruit pulp,
J. Sep. Sci., 2002, 25, 3, 147-154, https://doi.org/10.1002/1615-9314(20020201)25:3<147::AID-JSSC147>3.0.CO;2-G
. [all data]
Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1
. [all data]
Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N.,
Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation,
J. Agric. Food Chem., 2002, 50, 26, 7627-7633, https://doi.org/10.1021/jf020620e
. [all data]
Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T.,
Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.),
J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951
. [all data]
Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C.,
Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee,
J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r
. [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]
Hwan and Chou, 1999
Hwan, C.-H.; Chou, C.-C.,
Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution,
J. Sci. Food Agric., 1999, 79, 2, 243-248, https://doi.org/10.1002/(SICI)1097-0010(199902)79:2<243::AID-JSFA179>3.0.CO;2-I
. [all data]
Iwatsuki, Mizota, et al., 1999
Iwatsuki, K.; Mizota, Y.; Kubota, T.; Nishimura, O.; Masuda, H.; Sotoyama, K.; Tomita, M.,
Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis,
Nippon Shokuhin Kagaku Kogaku Kaishi, 1999, 46, 9, 587-597, https://doi.org/10.3136/nskkk.46.587
. [all data]
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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