- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: HNBDRPTVWVGKBR-UHFFFAOYSA-N
- CAS Registry Number: 624-24-8
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: Pentanoic acid, methyl ester; Valeric acid, methyl ester; Methyl n-valerate; Methyl pentanoate; Methyl valerianate; CH3(CH2)3COOCH3; n-Valeric acid methyl ester; Methyl ester of pentanoic acid
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Normal alkane RI, polar column, temperature ramp
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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
|Active phase||ZB-Wax||ZB-Wax||Carbowax 20M||DB-Wax||DB-Wax|
|Column length (m)||30.||30.||80.||60.||60.|
|Column diameter (mm)||0.32||0.32||0.2||0.32||0.32|
|Phase thickness (m)||0.25||0.25||0.25||0.25|
|Heat rate (K/min)||5.||5.||2.||2.||2.|
|Initial hold (min)||2.||2.||4.||4.|
|Final hold (min)||5.||5.|
|Reference||N/A||N/A||Anker, Jurs, et al., 1990||Takeoka and Butter, 1989||Takeoka and Butter, 1989|
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A., Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups, Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006 . [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G., Volatile constituents of pineapple (Ananas Comosus [L.] Merr.) in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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