Acetic acid, heptyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: ZCZSIDMEHXZRLG-UHFFFAOYSA-N
- CAS Registry Number: 112-06-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: n-Heptyl acetate; Heptyl acetate; 1-Heptyl acetate; Heptanyl acetate; Acetic acid n-heptyl ester; n-Heptyl ethanoate; Acetate C-7; Heptanol acetate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Go To: Top, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
|Column length (m)||30.||30.||50.|
|Column diameter (mm)||0.25||0.25||0.32|
|Phase thickness (m)||0.25||0.25||0.50|
|Program||50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)||50C => 6C/min => 100C => 4C/min => 280C||0 0C (8 min) -> (1 min) -> 50 0C (2 min) 2.5 0C/min -> 100 0C 6 0C/min -> 250 0C|
|Reference||Beaulieu and Grimm, 2001||Isidorov, Krajewska, et al., 2001||Bauchot, Mottram, et al., 1998|
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
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]
Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [all data]
Bauchot, Mottram, et al., 1998
Bauchot, A.D.; Mottram, D.S.; Dodson, A.T.; John, P., Effect of aminocyclopropane-1-carboxylic acid oxidase antisense gene on the formation of volatile esters in cantaloupe charentais melon (Cv. Védrandais), J. Agric. Food Chem., 1998, 46, 11, 4787-4792, https://doi.org/10.1021/jf980692z . [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.