Isobutyl acetate
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChIKey: GJRQTCIYDGXPES-UHFFFAOYSA-N
- CAS Registry Number: 110-19-0
- 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: Acetic acid, 2-methylpropyl ester; Acetic acid, isobutyl ester; β-Methylpropyl ethanoate; 2-Methylpropyl acetate; 2-Methyl-1-propyl acetate; Acetate d'isobutyle; Isobutyl ethanoate; 2-Methylpropyl ethanoate; Isobutylester kyseliny octove; UN 1213; 2-Methyl-1-propanol, acetate; i-Butyl acetate; NSC 8035; Isobutyl acetate fcc
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Van Den Dool and Kratz RI, non-polar column, custom temperature program
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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-5MS | DB-5 | DB-5 | RTX-5 | DB-5 |
Column length (m) | 30. | 30. | 60. | 30. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | |
Program | Multi-step temperature program; T(initial)=60C; T(final)=270C | 40C(2min) => 4C/min => 220C => 20C/min => 280C | 40 C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C | not specified | 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) |
I | 780. | 786. | 763. | 776. | 768. |
Reference | Tret'yakov, 2008 | Sampaio and Nogueira, 2006 | Mayr, van Ruth, et al., 2003 | Fuhrmann and Grosch, 2002 | Beaulieu and Grimm, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | BPX-5 |
Column length (m) | 50. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | 0.50 |
Program | 0 0C (8 min) -> (1 min) -> 50 0C (2 min) 2.5 0C/min -> 100 0C 6 0C/min -> 250 0C |
I | 771. |
Reference | Bauchot, Mottram, et al., 1998 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Sampaio and Nogueira, 2006
Sampaio, T.S.; Nogueira, P.C.L.,
Volatile components of mangaba fruit (Hancornia speciosa Gomes) at three stages of maturity,
Food Chem., 2006, 95, 4, 606-610, https://doi.org/10.1016/j.foodchem.2005.01.038
. [all data]
Mayr, van Ruth, et al., 2003
Mayr, D.; van Ruth, S.; Märk, T.D.,
Evaluation of the influence of mastication on temporal aroma release of ripe and unripe bananas, using a model mouth system and gas chromatography-olfactometry,
Eur. Food Res. Technol., 2003, 217, 4, 291-295, https://doi.org/10.1007/s00217-003-0777-1
. [all data]
Fuhrmann and Grosch, 2002
Fuhrmann, E.; Grosch, W.,
Character impact odorants of the apple cultivars Elstar and Cox Orange,
Nahrung/Food, 2002, 46, 3, 187-193, https://doi.org/10.1002/1521-3803(20020501)46:3<187::AID-FOOD187>3.0.CO;2-5
. [all data]
Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C.,
Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768
. [all data]
Bauchot, Mottram, et al., 1998
Bauchot, A.D.; Mottram, D.S.; Dodson, A.T.; John, P.,
Effect of aminocyclopropane-1-carboxylic acid oxidase antisense gene on the formation of volatile esters in cantaloupe charentais melon (Cv. Védrandais),
J. Agric. Food Chem., 1998, 46, 11, 4787-4792, https://doi.org/10.1021/jf980692z
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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