1-Butanol, 2-methyl-
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChIKey: QPRQEDXDYOZYLA-UHFFFAOYSA-N
- CAS Registry Number: 137-32-6
- 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:
- Isotopologues:
- Stereoisomers:
- Other names: sec-Butylcarbinol; Active amyl alcohol; Active primary amyl alcohol; Primary active amyl alcohol; 2-Methyl-n-butanol; 2-Methyl-1-butanol; 2-Methylbutyl alcohol; CH3CH2CH(CH3)CH2OH; dl-2-Methyl-1-butanol; 2-Methyl butanol-1; 2-Methylbutanol; dl-sec-Butyl carbinol; Butanol, 2-methyl-; 2-Methyl-butan-1-ol; 3-Methyl iso-butanol; Methyl-2-butan-1-ol; NSC 8431; 34713-94-5; 2-methyl-1-butanol (active amyl alcohol)
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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-Innowax | AT-Wax | DB-Wax | DB-FFAP | DB-Wax |
Column length (m) | 15. | 60. | 60. | 30. | 60. |
Carrier gas | 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) | 40. | 60. | 50. | 0. | 30. |
Tend (C) | 250. | 280. | 220. | 200. | 200. |
Heat rate (K/min) | 3. | 4. | 3. | 6. | 2. |
Initial hold (min) | 2. | 2. | 4. | ||
Final hold (min) | 20. | 30. | |||
I | 1187. | 1158. | 1204. | 1215. | 1205. |
Reference | Puvipirom and Chaisei, 2012 | Kiss, Csoka, et al., 2011 | Onishi, Inoue, et al., 2011 | Laselan, Buettner, et al., 2009 | 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 | HP-Innowax | CP-Wax 52CB | FFAP | TR-WAX |
Column length (m) | 60. | 50. | 30. | 30. | 60. |
Carrier gas | Helium | Helium | He | N2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.20 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.20 | 0.32 | 0.5 | 0.25 |
Tstart (C) | 30. | 45. | 50. | 35. | 40. |
Tend (C) | 200. | 190. | 220. | 320. | 200. |
Heat rate (K/min) | 2. | 4. | 6. | 4. | 3. |
Initial hold (min) | 4. | 2. | 2. | 5. | 10. |
Final hold (min) | 30. | 50. | 20. | 45. | 10. |
I | 1207. | 1210. | 1206. | 1237. | 1210. |
Reference | Beck, Higbee, et al., 2008 | Soria, Sanz, et al., 2008 | Audino, Alzogaray, et al., 2007 | Nebesny, Budryn, et al., 2007 | Tena N., Lazzez A., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | TC-Wax | HP-Innowax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 50. | 60. | 30. |
Carrier gas | Nitrogen | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.32 | 0.25 |
Phase thickness (μm) | 0.50 | 0.5 | 0.2 | 0.25 | 0.25 |
Tstart (C) | 35. | 40. | 45. | 40. | 40. |
Tend (C) | 235. | 230. | 190. | 230. | 185. |
Heat rate (K/min) | 2. | 3. | 4. | 4. | 4. |
Initial hold (min) | 4. | 8. | 2. | 5. | 4. |
Final hold (min) | 30. | 50. | 25. | 20. | |
I | 1220. | 1212. | 1212. | 1213. | 1206. |
Reference | Qian and Wang, 2005 | Ishikawa, Ito, et al., 2004 | Soria, Gonzalez, et al., 2004 | Dregus and Engel, 2003 | Lee and Noble, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Supelcowax-10 | DB-Wax | HP-Wax | TC-Wax |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 200. | 200. | 220. | 190. | 230. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | 10. | 10. | 10. | 6. | 10. |
Final hold (min) | 10. | 10. | |||
I | 1211. | 1204. | 1209. | 1220. | 1188. |
Reference | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 | Hayata, Sakamoto, et al., 2002 | Sanz, Maeztu, et al., 2002 | Suhardi, Suzuki, 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 | DB-Wax | DB-Wax | Supelcowax-10 | DB-Wax |
Column length (m) | 30. | 30. | 60. | 60. | 30. |
Carrier gas | H2 | He | H2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.53 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.25 | |
Tstart (C) | 60. | 60. | 40. | 35. | 45. |
Tend (C) | 245. | 210. | 200. | 250. | 220. |
Heat rate (K/min) | 3. | 4. | 2. | 5. | 3. |
Initial hold (min) | 3. | 2. | 5. | ||
Final hold (min) | 20. | 20. | |||
I | 1200. | 1210. | 1207. | 1210. | 1195. |
Reference | Kotseridis and Baumes, 2000 | Iwatsuki, Mizota, et al., 1999 | Umano, Nakahara, et al., 1999 | Campeanu, Burcea, et al., 1998 | Molleken U., Sinnwell V., et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax | DB-Wax | Supelcowax-10 | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 90. | 60. | 60. |
Carrier gas | Hydrogen | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | ||
Tstart (C) | 40. | 30. | 35. | 50. | 50. |
Tend (C) | 240. | 190. | 220. | 230. | 250. |
Heat rate (K/min) | 6. | 3. | 2. | 4. | 4. |
Initial hold (min) | 10. | 6. | 20. | 0.1 | 0.1 |
Final hold (min) | 25. | 30. | 10. | 5. | |
I | 1212. | 1214. | 1203. | 1201. | 1199. |
Reference | Petersen, Poll, et al., 1998 | Young, Gilbert, et al., 1996 | Girard and Lau, 1995 | Binder, Flath, et al., 1989 | Binder and Flath, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 150. | 150. | 150. | 150. |
Carrier gas | He | |||
Substrate | ||||
Column diameter (mm) | 0.66 | 0.64 | 0.64 | 0.64 |
Phase thickness (μm) | ||||
Tstart (C) | 60. | 50. | 50. | 50. |
Tend (C) | 170. | 170. | 170. | 170. |
Heat rate (K/min) | 1. | 1. | 1. | 1. |
Initial hold (min) | 40. | 30. | 10. | |
Final hold (min) | 30. | 60. | 60. | |
I | 1180. | 1180. | 1180. | 1210. |
Reference | Buttery, Xu, et al., 1985 | Buttery, Kamm, et al., 1984 | Buttery, Ling, et al., 1983 | Seifert and King, 1982 |
Comment | MSDC-RI | MSDC-RI | 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.
Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S.,
Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink),
Int. Food Res. J., 2012, 19, 2, 583-588. [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]
Onishi, Inoue, et al., 2011
Onishi, M.; Inoue, M.; Araki, T.; Iwabuchi, H.; Sagara, Y.,
Odorant transfer characteristics of white bread during baking,
Biosci Biotechnol. Biochem., 2011, 75, 2, 261-267, https://doi.org/10.1271/bbb.100572
. [all data]
Laselan, Buettner, et al., 2009
Laselan, P.; Buettner, A.; Christlbauer, M.,
Investigation of the retronasal perseption of palm wine (Elaeis guineensis) aroma by application of sensory analysis and exhaled odorant measurement (EXOM),
African J. of Food, Agriculture, Nutrition and development, 2009, 9, 2, 793-813. [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]
Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I.,
SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles,
Eur. Food Res. Technol., 2008, 1-12. [all data]
Audino, Alzogaray, et al., 2007
Audino, P.G.; Alzogaray, R.A.; Vassena, C.; Masuh, H.; Fontán, A.; Gatti, P.; Martínez, A.; Camps, F.; Cork, A.; Zerba, E.,
Volatile compounds secreted by Brindley's glands of adult Triatoma infestans: identification and biological activity of previously unidentified compounds,
Journal of Vector Ecology, 2007, 32, 1, 75-82, https://doi.org/10.3376/1081-1710(2007)32[75:VCSBBO]2.0.CO;2
. [all data]
Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T.,
The effect of roasting method on headspace composition of robusta coffee bean aroma,
Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0
. [all data]
Tena N., Lazzez A., et al., 2007
Tena N.; Lazzez A.; Aparicio-Ruiz R.; Garcia-Gonzalez D.L.,
Volatile compounds characterizing tunisian chemiali and chetoui virgin olive oils,
J. Agric. Food Chem., 2007, 55, 19, 7852-7858, https://doi.org/10.1021/jf071030p
. [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]
Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A.,
Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles,
Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322
. [all data]
Soria, Gonzalez, et al., 2004
Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J.,
Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data,
Food Chem., 2004, 85, 1, 121-130, https://doi.org/10.1016/j.foodchem.2003.06.012
. [all data]
Dregus and Engel, 2003
Dregus, M.; Engel, K.-H.,
Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks,
J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l
. [all data]
Lee and Noble, 2003
Lee, S.-J.; Noble, A.C.,
Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry,
J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v
. [all data]
Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection,
J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6
. [all data]
Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy,
J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c
. [all data]
Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y.,
Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column,
J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517
. [all data]
Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C.,
Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar,
J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110
. [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]
Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R.,
Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine,
J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i
. [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]
Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger,
J. Agric. Food Chem., 1999, 47, 9, 3702-3705, https://doi.org/10.1021/jf990116i
. [all data]
Campeanu, Burcea, et al., 1998
Campeanu, G.; Burcea, M.; Doneanu, C.; Namolosanu, I.; Visan, L.,
GC/MS characterization of the volatiles isolated from the wines obtained from the indigenous cultivar Feteasca Regala,
Analusis, 1998, 26, 2, 93-97, https://doi.org/10.1051/analusis:1998117
. [all data]
Molleken U., Sinnwell V., et al., 1998
Molleken U.; Sinnwell V.; Kubeczka K.H.,
TThe essential oil composition of fruits from Smyrnium perfoliatum,
Phytochemistry, 1998, 47, 6, 1079-1083, https://doi.org/10.1016/S0031-9422(98)80076-9
. [all data]
Petersen, Poll, et al., 1998
Petersen, M.A.; Poll, L.; Larsen, L.M.,
Comparison of volatiles in raw and boiled potatoes using a mild extraction technique combined with GC odour profiling and GC-MS,
Food Chem., 1998, 61, 4, 461-466, https://doi.org/10.1016/S0308-8146(97)00119-2
. [all data]
Young, Gilbert, et al., 1996
Young, H.; Gilbert, J.M.; Murray, S.H.; Ball, R.D.,
Causal effects of aroma compounds on Royal Gala apple flavours,
J. Sci. Food Agric., 1996, 71, 3, 329-336, https://doi.org/10.1002/(SICI)1097-0010(199607)71:3<329::AID-JSFA588>3.0.CO;2-8
. [all data]
Girard and Lau, 1995
Girard, B.; Lau, O.L.,
Effect of maturity and storage on quality and volatile production of 'Jonagold' apples,
Food Res. Int., 1995, 28, 5, 465-471, https://doi.org/10.1016/0963-9969(96)81393-7
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
Buttery, Xu, et al., 1985
Buttery, R.G.; Xu, C.; Ling, L.C.,
Volatile components of wheat leaves (and stems): Possible insect attractants,
J. Agric. Food Chem., 1985, 33, 1, 115-117, https://doi.org/10.1021/jf00061a033
. [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]
Buttery, Ling, et al., 1983
Buttery, R.G.; Ling, L.C.; Teranishi, R.; Mon, T.R.,
Insect attractants: volatiles of hydrolizyed protein insect baits,
J. Agric. Food Chem., 1983, 31, 4, 689-692, https://doi.org/10.1021/jf00118a003
. [all data]
Seifert and King, 1982
Seifert, R.M.; King, A.D., Jr.,
Identification of some volatile constituents of Aspergillus clavatus,
J. Agric. Food Chem., 1982, 30, 4, 786-790, https://doi.org/10.1021/jf00112a044
. [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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