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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Van Den Dool and Kratz 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 | DB-Wax Etr | DB-Wax | Innowax | HP-Innowax | DB-Wax Etr |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | He | H2 | 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 | 0.25 | 0.25 |
Tstart (C) | 40. | 50. | 45. | 50. | 40. |
Tend (C) | 250. | 180. | 210. | 220. | 250. |
Heat rate (K/min) | 5. | 3.5 | 3.5 | 4. | 5. |
Initial hold (min) | 3. | 2. | 5. | 4. | 3. |
Final hold (min) | 15. | 25. | 20. | 10. | 15. |
I | 1208. | 1217. | 1230. | 1208. | 1208. |
Reference | Aubert and Chanforan, 2007 | Botelho, Caldeira, et al., 2007 | Botelho, Caldeira, et al., 2007 | Quijano, Linares, et al., 2007 | Aubert C. and Pitrat M., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | LM-120 | Supelcowax-10 | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 50. | 60. | 30. | 30. | 30. |
Carrier gas | He | H2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 40. | 40. | 40. | 40. |
Tend (C) | 240. | 280. | 250. | 240. | 240. |
Heat rate (K/min) | 3. | 4. | 3. | 6. | 6. |
Initial hold (min) | 2. | 3. | 10. | 10. | |
Final hold (min) | 30. | 20. | 25. | 25. | |
I | 1201. | 1213. | 1206. | 1200. | 1206. |
Reference | Pinto, Guedes, et al., 2006 | Elmore, Nisyrios, et al., 2005 | Aubert and Bourger, 2004 | Varming, Andersen, et al., 2004 | Varming, Petersen, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | AT-Wax | AT-Wax | DB-Wax | DB-Wax | DB-FFAP |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.25 |
Tstart (C) | 65. | 65. | 60. | 60. | 40. |
Tend (C) | 250. | 250. | 245. | 245. | 240. |
Heat rate (K/min) | 2. | 2. | 3. | 3. | 5. |
Initial hold (min) | 10. | 10. | 3. | 3. | 2. |
Final hold (min) | 60. | 60. | 20. | 20. | |
I | 1189. | 1204. | 1210. | 1210. | 1207. |
Reference | Pino, Almora, et al., 2003 | Pino, Marbot, et al., 2001 | Bureau, Baumes, et al., 2000 | Bureau, Razungles, et al., 2000 | Charles, Martin, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | DB-Wax | DB-Wax | Carbowax 20M | DB-Wax |
Column length (m) | 50. | 60. | 60. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.425 | 0.25 |
Tstart (C) | 30. | 40. | 50. | 45. | 50. |
Tend (C) | 220. | 200. | 230. | 300. | 220. |
Heat rate (K/min) | 2. | 3. | 3. | 3. | 4. |
Initial hold (min) | 1.3 | 5. | 3. | 3. | |
Final hold (min) | 60. | 20. | 20. | ||
I | 1191. | 1208. | 1207. | 1193. | 1201. |
Reference | Jensen, Christensen, et al., 2000 | Cha, Kim, et al., 1998 | Shimoda, Wu, et al., 1996 | Mondello, Dugo, et al., 1995 | Humpf and Schreier, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 20M |
Column length (m) | 30. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | 0.25 |
Tstart (C) | 40. |
Tend (C) | 240. |
Heat rate (K/min) | 4. |
Initial hold (min) | 3. |
Final hold (min) | |
I | 1191. |
Reference | Schwab, Mahr, et al., 1989 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Aubert and Chanforan, 2007
Aubert, C.; Chanforan, C.,
Postharvest Changes in Physicochemical Properties and Volatile Constituents of Apricot (Prunus armeniaca L.). Characterization of 28 Cultivars,
J. Agric. Food Chem., 2007, 55, 8, 3074-3082, https://doi.org/10.1021/jf063476w
. [all data]
Botelho, Caldeira, et al., 2007
Botelho, G.; Caldeira, I.; Mendes-Faia, A.; Clímaco, M.C.,
Evaluation of two quantitative gas chromatography-olfactometry methods for clonal red wines differentiation,
Flavour Fragr. J., 2007, 22, 5, 414-420, https://doi.org/10.1002/ffj.1815
. [all data]
Quijano, Linares, et al., 2007
Quijano, C.E.; Linares, D.; Pino, J.A.,
Changes in volatile compounds of fermented cereza agria [Phyllanthus acidus (L.) Skeels] fruit,
Flavour Fragr. J., 2007, 22, 5, 392-394, https://doi.org/10.1002/ffj.1810
. [all data]
Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M.,
Volatile compounds in the skin and pulp of Queen Anne's pocket melon,
J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s
. [all data]
Pinto, Guedes, et al., 2006
Pinto, A.B.; Guedes, C.M.; Moreira, R.F.A.; de Maria, C.A.B.,
Volatile constituents from headspace and aqueous solution of genipap (Genipa americana) fruit isolated by the solid-phase extraction method,
Flavour Fragr. J., 2006, 21, 3, 488-491, https://doi.org/10.1002/ffj.1623
. [all data]
Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S.,
Analysis of the headspace aroma compounds of walnuts (Juglans regia L.),
Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477
. [all data]
Aubert and Bourger, 2004
Aubert, C.; Bourger, N.,
Investigation of volatiles in charentais cantaloupe melons (Cucumis melo Var. cantalupensis). Characterization of aroma constituents in some cultivars,
J. Agric. Food Chem., 2004, 52, 14, 4522-4528, https://doi.org/10.1021/jf049777s
. [all data]
Varming, Andersen, et al., 2004
Varming, C.; Andersen, M.L.; Poll, L.,
Influence of thermal treatment on black currant (Ribes nigrum L.) juice aroma,
J. Agric. Food Chem., 2004, 52, 25, 7628-7636, https://doi.org/10.1021/jf049435m
. [all data]
Varming, Petersen, et al., 2004
Varming, C.; Petersen, M.A.; Poll, L.,
Comparison of isolation methods for the determination of important aroma compounds in black currant (Ribes nigrum L.) juice, using nasal impact frequency profiling,
J. Agric. Food Chem., 2004, 52, 6, 1647-1652, https://doi.org/10.1021/jf035133t
. [all data]
Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248
. [all data]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Bureau, Baumes, et al., 2000
Bureau, S.M.; Baumes, R.L.; Razungles, A.J.,
Effects of vine or bunch shading on the glycosylated flavor precursors in grapes of Vitis vinifera L. Cv. Syrah,
J. Agric. Food Chem., 2000, 48, 4, 1290-1297, https://doi.org/10.1021/jf990507x
. [all data]
Bureau, Razungles, et al., 2000
Bureau, S.M.; Razungles, A.R.; Baumes, R.L.,
The aroma of Muscat of Frontignan grapes: effect of the light environment of vine or bunch on volatiles and glycoconjugates,
J. Sci. Food Agric., 2000, 80, 14, 2012-2020, https://doi.org/10.1002/1097-0010(200011)80:14<2012::AID-JSFA738>3.0.CO;2-X
. [all data]
Charles, Martin, et al., 2000
Charles, M.; Martin, B.; Ginies, C.; Etievant, P.; Coste, G.; Guichard, E.,
Potent aroma compounds of two red wine vinegars,
J. Agric. Food Chem., 2000, 48, 1, 70-77, https://doi.org/10.1021/jf9905424
. [all data]
Jensen, Christensen, et al., 2000
Jensen, K.; Christensen, L.P.; Hansen, M.; Jørgensen, U.; Kaack, K.,
Olfactory and quantitative analysis of volatiles in elderberry (Sambucus nigra L) juice processed from seven cultivars,
J. Sci. Food Agric., 2000, 81, 2, 237-244, https://doi.org/10.1002/1097-0010(20010115)81:2<237::AID-JSFA809>3.0.CO;2-H
. [all data]
Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R.,
Aroma-active compounds in Kimchi during fermentation,
J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991
. [all data]
Shimoda, Wu, et al., 1996
Shimoda, M.; Wu, Y.; Osajima, Y.,
Aroma compounds from aqueous solution of Haze (Rhus succedanea) honey determined by adsorptive column chromatography,
J. Agric. Food Chem., 1996, 44, 12, 3913-3918, https://doi.org/10.1021/jf9601168
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Humpf and Schreier, 1991
Humpf, H.-U.; Schreier, P.,
Bound aroma compounds from the fruit and the leaves of blackberry (Rubus laciniata L.),
J. Agric. Food Chem., 1991, 39, 10, 1830-1832, https://doi.org/10.1021/jf00010a028
. [all data]
Schwab, Mahr, et al., 1989
Schwab, W.; Mahr, C.; Schreier, P.,
Studies on the enzymic hydrolysis of bound aroma components from Carica papaya fruit,
J. Agric. Food Chem., 1989, 37, 4, 1009-1012, https://doi.org/10.1021/jf00088a042
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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