Pentanoic acid, 4-methyl-
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI: InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
- IUPAC Standard InChIKey: FGKJLKRYENPLQH-UHFFFAOYSA-N
- CAS Registry Number: 646-07-1
- 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: Valeric acid, 4-methyl-; Isobutylacetic acid; Isocaproic acid; Isohexanoic acid; 4-Methylpentanoic acid; 4-Methylvaleric acid; 4,4-Dimethylbutanoic acid; 4-Methyl-n-valeric acid; Isohexoic acid; NSC 4126
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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 |
|---|---|---|
| Active phase | DB-1 | DB-5 |
| Column length (m) | 60. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 1.0 |
| Program | 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) | 5 0C (0.5 min) -> (1 min) 60 0C (5 min) 4 0C/min -> 250 0C |
| I | 937. | 949. |
| Reference | Place, Imhof, et al., 2003 | Beal and Mottram, 1994 |
| Comment | MSDC-RI | 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.
Place, Imhof, et al., 2003
Place, R.B.; Imhof, M.; Teuber, M.; Olivier Bosset, J.,
Distribution of the volatile (flavour) compounds in Raclette cheese produced with different staphylococci in the smear,
Mitt. Lebensmittelunters. Hyg., 2003, 94, 192-211. [all data]
Beal and Mottram, 1994
Beal, A.D.; Mottram, D.S.,
Compounds contributing to the characteristic aroma of malted barley,
J. Agric. Food Chem., 1994, 42, 12, 2880-2884, https://doi.org/10.1021/jf00048a043
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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