3-Buten-1-ol, 3-methyl-
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChI: InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
- IUPAC Standard InChIKey: CPJRRXSHAYUTGL-UHFFFAOYSA-N
- CAS Registry Number: 763-32-6
- 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. - Other names: Isobutenylcarbinol; Isopropenylethyl alcohol; 2-Methyl-1-buten-4-ol; 3-Isopentenyl alcohol; 3-Methyl-3-buten-1-ol; Methallyl carbinol; 3-methyl-3-butenol; 3-methylbut-3-en-1-ol; Methyl-3-but-3-en-1-ol; 3-Methyl-3-butene-1-ol; 3-Buten-3-methyl-1-ol
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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 | VF-Wax MS | DB-Wax | HP-Innowax | Carbowax 20M | DB-Wax |
| Column length (m) | 60. | 30. | 50. | 50. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.20 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 45. | 40. | 50. |
| Tend (C) | 220. | 230. | 190. | 190. | 180. |
| Heat rate (K/min) | 3. | 3. | 4. | 4. | 3. |
| Initial hold (min) | 5. | 2. | 2. | 2. | |
| Final hold (min) | 25. | 5. | 50. | 30. | 40. |
| I | 1244. | 1254. | 1255. | 1256. | 1245. |
| Reference | Duarte, Dias, et al., 2010 | Zhao, Xu, et al., 2009 | Soria, Sanz, et al., 2008 | de la Fuente, Martinez-Castro, et al., 2005 | Lee, Umano, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | ZB-Wax | HP-Innowax | HP-Innowax | Carbowax 20M |
| Column length (m) | 60. | 30. | 50. | 50. | 50. |
| Carrier gas | Nitrogen | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.2 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.50 | 0.25 | 0.2 | 0.2 | 0.25 |
| Tstart (C) | 35. | 40. | 45. | 45. | 45. |
| Tend (C) | 235. | 250. | 190. | 190. | 190. |
| Heat rate (K/min) | 2. | 5. | 4. | 4. | 4. |
| Initial hold (min) | 4. | 2. | 2. | 2. | 2. |
| Final hold (min) | 30. | 5. | 50. | 50. | 50. |
| I | 1272. | 1242. | 1253. | 1254. | 1254. |
| Reference | Qian and Wang, 2005 | N/A | Soria, Gonzalez, et al., 2004 | Soria, Martinez-Castro, et al., 2003 | Soria, Martinez-Castro, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-FFAP | HP-Wax | DB-Wax | HP-Wax | HP-Wax |
| Column length (m) | 25. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.52 | 0.5 | 0.25 | 0.5 | 0.5 |
| Tstart (C) | 60. | 40. | 40. | 40. | 40. |
| Tend (C) | 240. | 190. | 200. | 190. | 190. |
| Heat rate (K/min) | 5. | 3. | 2. | 3. | 3. |
| Initial hold (min) | 1. | 6. | 2. | 6. | 6. |
| Final hold (min) | 5. | ||||
| I | 1274. | 1264. | 1240. | 1264. | 1264. |
| Reference | Qian and Reineccius, 2002 | Sanz, Maeztu, et al., 2002 | Umano, Hagi, et al., 2002 | Maeztu, Sanz, et al., 2001 | Sanz, Ansorena, et al., 2001 |
| 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 | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 30. | 30. | 60. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.53 | 0.53 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 40. | 60. | 60. | 40. |
| Tend (C) | 220. | 200. | 210. | 210. | 200. |
| Heat rate (K/min) | 4. | 2. | 4. | 4. | 2. |
| Initial hold (min) | 3. | 2. | 2. | ||
| Final hold (min) | |||||
| I | 1232. | 1248. | 1262. | 1269. | 1248. |
| Reference | Weckerle, Bastl-Borrmann, et al., 2001 | Umano, Hagi, et al., 2000 | Iwatsuki, Mizota, et al., 1999 | Iwatsuki, Mizota, et al., 1999 | Umano, Nakahara, et al., 1999 |
| 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 | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 30. | 60. | 60. | 50. |
| Carrier gas | He | Hydrogen | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.50 | 0.25 | ||
| Tstart (C) | 40. | 30. | 30. | 50. | 70. |
| Tend (C) | 210. | 190. | 180. | 230. | 180. |
| Heat rate (K/min) | 3. | 3. | 2. | 4. | 2. |
| Initial hold (min) | 1. | 6. | 4. | 0.1 | |
| Final hold (min) | 25. | 25. | 10. | ||
| I | 1248. | 1251. | 1239. | 1242. | 1232. |
| Reference | Pollak and Berger, 1996 | Young, Gilbert, et al., 1996 | Takeoka, Buttery, et al., 1991 | Binder, Flath, et al., 1989 | Engel and Tressl, 1983 |
| Comment | MSDC-RI | 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.
Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F.,
Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu,
Food Sci. Technol., 2010, 43, 1564-1572. [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]
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]
de la Fuente, Martinez-Castro, et al., 2005
de la Fuente, E.; Martinez-Castro, I.; Sanz, J.,
Characterization of Spanish unifloral honeys by solid phase microextraction and gas chromatography-mass spectrometry,
J. Sep. Sci., 2005, 28, 9-10, 1093-1100, https://doi.org/10.1002/jssc.200500018
. [all data]
Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056
. [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]
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]
Soria, Martinez-Castro, et al., 2003
Soria, A.C.; Martinez-Castro, I.; Sanz, J.,
Analysis of volatile composition of honey by solid phase microextraction and gas chromatographymass spectrometry,
J. Sep. Sci., 2003, 26, 9-10, 793-801, https://doi.org/10.1002/jssc.200301368
. [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]
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]
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]
Maeztu, Sanz, et al., 2001
Maeztu, L.; Sanz, C.; Andueza, S.; de Peña, M.P.; Bello, J.; Cid, C.,
Characterization of espresso coffee aroma by static headspace GC-MS and sensory flavor profile,
J. Agric. Food Chem., 2001, 49, 11, 5437-5444, https://doi.org/10.1021/jf0107959
. [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]
Weckerle, Bastl-Borrmann, et al., 2001
Weckerle, B.; Bastl-Borrmann, R.; Richling, E.; Hör, K.; Ruff, C.; Schreier, P.,
Cactus pear (Opuntia ficus indica) flavour constituents - chiral evaluation (MDGC-MS) and isotope ratio (HRGC-IRMS) analysis,
Flavour Fragr. J., 2001, 16, 5, 360-363, https://doi.org/10.1002/ffj.1012
. [all data]
Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738
. [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]
Pollak and Berger, 1996
Pollak, F.C.; Berger, R.G.,
Geosmin and Related Volatiles in Bioreactor-Cultured Streptomyces citreus CBS 109.60,
Appl. Environ. Microbiol., 1996, 62, 4, 1295-1299. [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]
Takeoka, Buttery, et al., 1991
Takeoka, G.R.; Buttery, R.G.; Teranishi, R.; Flath, R.A.; Güntert, M.,
Identification of additional pineapple volatiles,
J. Agric. Food Chem., 1991, 39, 10, 1848-1851, https://doi.org/10.1021/jf00010a032
. [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]
Engel and Tressl, 1983
Engel, K.-H.; Tressl, R.,
Formation of aroma components from nonvolatile precursors in passion fruit,
J. Agric. Food Chem., 1983, 31, 5, 998-1002, https://doi.org/10.1021/jf00119a019
. [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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