Heptanoic acid, ethyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: TVQGDYNRXLTQAP-UHFFFAOYSA-N
- CAS Registry Number: 106-30-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Aether oenanthicus; Cognac oil; Enanthylic ether; Ethyl enanthate; Ethyl heptanoate; Ethyl heptoate; Ethyl heptylate; Ethyl n-heptanoate; Ethyl oenanthate; Ethyl oenanthylate; Grape oil; Oenanthic ether; Oleum vitis viniferae; Wine oil; Enanthic acid ethyl ester; Ethyl ester of heptanoic acid; NSC 8891; ethyl enantate
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Van Den Dool and Kratz RI, non-polar column, custom temperature program
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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
|Column length (m)||30.||30.||60.|
|Column diameter (mm)||0.25||0.25||0.25|
|Phase thickness (m)||0.25||0.25||0.25|
|Program||Multi-step temperature program; T(initial)=60C; T(final)=270C||50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)||-20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C|
|Reference||Tret'yakov, 2008||Beaulieu and Grimm, 2001||Eri, Khoo, et al., 2000|
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [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]
Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G., Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization, J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850 . [all data]
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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