Butanoic acid, 2-methyl-, 2-methylbutyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChIKey: PVYFCGRBIREQLL-UHFFFAOYSA-N
- CAS Registry Number: 2445-78-5
- 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. - Isotopologues:
- Other names: Butyric acid, 2-methyl-, 2-methylbutyl ester; 2-Methylbutyl 2-methylbutanoate; 2-Methylbutyl 2-methylbutyrate; dl-2-Methylbutyric acid 2-methylbutyl ester; 2-Methylbutanoic acid 2-methylbutyl ester; 2-Methyl buthyl 2-methyl butanoate
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Kovats' RI, 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 |
---|---|
Active phase | Carbowax |
Column length (m) | 30. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | 0.25 |
Program | 40C (10min) => 3C/min => 100C => 5C/min => 220C |
I | 1284. |
Reference | Rowan, Lane, et al., 1996 |
Comment | MSDC-RI |
References
Go To: Top, Kovats' 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.
Rowan, Lane, et al., 1996
Rowan, D.D.; Lane, H.P.; Allen, J.M.; Fielder, S.; Hunt, M.B.,
Biosynthesis of 2-methylbutyl, 2-methyl-2-butenyl, and 2-methylbutanoate esters in Red Delicious and Granny Smith apples using deuterium-labeled substrates,
J. Agric. Food Chem., 1996, 44, 10, 3276-3285, https://doi.org/10.1021/jf9508209
. [all data]
Notes
Go To: Top, Kovats' RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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