Hexanoic acid, 4-methyl-

Formula: C₇H₁₄O₂
Molecular weight: 130.1849
IUPAC Standard InChI: InChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
IUPAC Standard InChIKey: DIVCBWJKVSFZKJ-UHFFFAOYSA-N
CAS Registry Number: 1561-11-1
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- Hexanoic acid, 4-methyl-, (.+/-.)-
- d-4-methylhexanoic acid
Other names: 4-Methylhexanoic acid
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1936.	Dregus and Engel, 2003	60. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min
Capillary	DB-Wax	1921.	Tanaka, Yamauchi, et al., 2003	30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; T_end: 250. C

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Dregus and Engel, 2003
Dregus, M.; Engel, K.-H., Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks, J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l . [all data]

Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K., Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography, Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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