1-Butanol, 2-methyl-, acetate
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: XHIUFYZDQBSEMF-UHFFFAOYSA-N
- CAS Registry Number: 624-41-9
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
- Other names: 2-Methyl-1-butyl acetate; 2-Methylbutyl acetate; Acetic acid 2-methylbutyl ester; 2-Methybutyl acetate; 2-Methyl-1-butanol acetate; 2-Methylbutanol acetate; Active amyl acetate
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Normal alkane RI, polar column, custom temperature program
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 | EC-1000 | Carbowax 20M | FFAP | DB-Wax | DB-Wax |
Column length (m) | 50. | 20. | 20. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.20 | 0.18 | 0.18 | ||
Phase thickness (μm) | 0.33 | 0.18 | 0.18 | ||
Program | not specified | not specified | 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) | 35 0C (1 min) 2.9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min) | 35 0C (1 min) 2/9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min) |
I | 1165. | 1108. | 1096. | 1109. | 1109. |
Reference | Delabre and Bendall, 9999 | Lee, Chong, et al., 2012 | Ortiz, Echeverra, et al., 2009 | Rowan, Hunt, et al., 2009 | Rowan, Hunt, et al., 2009, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | FFAP | FFAP | DB-Wax |
Column length (m) | 30. | 30. | 50. | 50. | 30. |
Carrier gas | Helium | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.2 | 0.25 |
Phase thickness (μm) | 0.50 | 0.25 | 0.33 | 0.33 | 0.25 |
Program | 40 0C 7 0C/min -> 110 0C 15 0C/min -> 250 0C (3 min) | not specified | 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) | 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) |
I | 1135. | 1117. | 1131. | 1131. | 1114. |
Reference | Valappil, Fan, et al., 2009 | Zhao, Xu, et al., 2009 | Lara, Echeverría, et al., 2007 | Lopez, Villatoro, et al., 2007 | Tian, Zhang, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | FFAP | Carbowax 20M | HP-FFAP |
Column length (m) | 50. | 60. | 50. | 50. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.2 | 0.2 | |
Phase thickness (μm) | 0.33 | 0.25 | 0.33 | 0.33 | |
Program | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) | 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) | not specified | 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) |
I | 1131. | 1123. | 1131. | 1114. | 1131. |
Reference | Lara, Graell, et al., 2006 | Mattheis, Fan, et al., 2005 | Echeverría, Correa, et al., 2004 | Vinogradov, 2004 | Echeverria, Fuentes, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | FFAP | Cross-linked FFAP | FFAP | DB-Wax |
Column length (m) | 50. | 50. | 50. | 60. |
Carrier gas | N2 | N2 | N2 | He |
Substrate | ||||
Column diameter (mm) | 0.2 | 0.2 | 0.2 | 0.25 |
Phase thickness (μm) | 0.33 | 0.33 | 0.33 | 0.25 |
Program | 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min) | 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min) | 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min) | 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) |
I | 1134. | 1134. | 1134. | 1110. |
Reference | Lopez, Lavilla, et al., 2000 | Lavilla, Puy, et al., 1999 | López, Lavilla, et al., 1998 | Mattheis, Buchanan, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F.,
Flavour ingredients from fermented dairy streams,
Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]
Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q.,
Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts,
Uncorrected proof, 2012, 000-000. [all data]
Ortiz, Echeverra, et al., 2009
Ortiz, A.; Echeverra, G.; Graell, J.; Lara, I.,
Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples,
J. Agric. Food Chem., 2009, 57, 11, 4931-4938, https://doi.org/10.1021/jf9003576
. [all data]
Rowan, Hunt, et al., 2009
Rowan, D.D.; Hunt, M.B.; Alspach, P.A.; Whitworth, C.J.; Oraguzie, N.C.,
Heriability and genetic and phenotypic correlations of apple (Malus x domestica) fruit volatiles in a genetically diverse breeding population,
J. Agric. Food Chem., 2009, 57, 17, 7944-7952, https://doi.org/10.1021/jf901359r
. [all data]
Rowan, Hunt, et al., 2009, 2
Rowan, D.D.; Hunt, M.B.; Dimouro A.; Alspach P.A.; Weskett R.; Volz, R.K.; Gardiner, S.E.; Chagne, D.,
Profiling fruit volatiles in the progeny of a Royal Gala x Granny Smith apple (Malus x domestica) cross,
J. Agr. Food Chem., 2009, 57, 17, 7953-7961, https://doi.org/10.1021/jf901678v
. [all data]
Valappil, Fan, et al., 2009
Valappil, Z.A.; Fan, X.; Zhang, H.Q.; Rouseff, R.L.,
Impact of thermal and nonthermal processing technologies on unfermented apple cider aroma vilatiles,
J. Agric. Food Chem., 2009, 57, 3, 924-929, https://doi.org/10.1021/jf803142d
. [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]
Lara, Echeverría, et al., 2007
Lara, I.; Echeverría, G.; Graell, J.; López, M.L.,
Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities,
J. Agric. Food Chem., 2007, 55, 15, 6087-6095, https://doi.org/10.1021/jf070464h
. [all data]
Lopez, Villatoro, et al., 2007
Lopez, M.L.; Villatoro, C.; Fuentes, T.; Graell, J.; Lara, I.; Echeverria, G.,
Volatile compounds, quality parameters and consumer acceptance of 'Pink Lady®' apples stored in different conditions,
Postharvest Biol. Technol., 2007, 43, 1, 55-66, https://doi.org/10.1016/j.postharvbio.2006.07.009
. [all data]
Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J.,
Research advances on the essential oils from leaves of Eucalyptus,
Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]
Lara, Graell, et al., 2006
Lara, I.; Graell, J.; López, M.L.; Echeverría, G.,
Multivariate analysis of modifications in biosynthesis of volatile compounds after CA storage of 'Fuji' apples,
Postharvest Biol. Technol., 2006, 39, 1, 19-28, https://doi.org/10.1016/j.postharvbio.2005.09.001
. [all data]
Mattheis, Fan, et al., 2005
Mattheis, J.P.; Fan, X.; Argenta, L.C.,
Interactive Responses of Gala Apple Fruit Volatile Production to Controlled Atmosphere Storage and Chemical Inhibition of Ethylene Action,
J. Agric. Food Chem., 2005, 53, 11, 4510-4516, https://doi.org/10.1021/jf050121o
. [all data]
Echeverría, Correa, et al., 2004
Echeverría, G.; Correa, E.; Ruiz-Altisent, M.; Graell, J.; Puy, J.; López, L.,
Characterization of Fuji apples from different harvest dates and storage conditions from measurements of volatiles by gas chromatography and electronic nose,
J. Agric. Food Chem., 2004, 52, 10, 3069-3076, https://doi.org/10.1021/jf035271i
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Echeverria, Fuentes, et al., 2003
Echeverria, G.; Fuentes, M.T.; Graell, J.; Lopez, M.L.,
Relationships between volatile production, fruit quality and sensory evaluation of Fuji apples stored in different atmospheres by means of multivariate analysis,
J. Sci. Food Agric., 2003, 84, 1, 5-20, https://doi.org/10.1002/jsfa.1554
. [all data]
Lopez, Lavilla, et al., 2000
Lopez, M.L.; Lavilla, M.T.; Recasens, I.; Graell, J.; Vendrell, M.,
Changes in aroma quality of 'Golden Delicious' apples after storage at different oxygen and carbon dioxide concentrations,
J. Sci. Food Agric., 2000, 80, 3, 311-324, https://doi.org/10.1002/1097-0010(200002)80:3<311::AID-JSFA519>3.0.CO;2-F
. [all data]
Lavilla, Puy, et al., 1999
Lavilla, T.; Puy, J.; López, M.L.; Recasens, I.; Vendrell, M.,
Relationships between volatile production, fruit quality, and sensory evaluation in Granny Smith apples stored in different controlled-atmosphere treatments by means of multivariate analysis,
J. Agric. Food Chem., 1999, 47, 9, 3791-3803, https://doi.org/10.1021/jf990066h
. [all data]
López, Lavilla, et al., 1998
López, M.L.; Lavilla, T.; Recasens, I.; Riba, M.; Vendrell, M.,
Influence of different oxygen and carbon dioxide concentrations during storage on production of volatile compounds by Starking delicious apples,
J. Agric. Food Chem., 1998, 46, 2, 634-643, https://doi.org/10.1021/jf9608938
. [all data]
Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K.,
Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening,
J. Agric. Food Chem., 1992, 40, 3, 471-474, https://doi.org/10.1021/jf00015a022
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
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