Butanoic acid, phenylmethyl ester
- Formula: C11H14O2
- Molecular weight: 178.2277
- IUPAC Standard InChI: InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
- IUPAC Standard InChIKey: VONGZNXBKCOUHB-UHFFFAOYSA-N
- CAS Registry Number: 103-37-7
- 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: Butyric acid, benzyl ester; Benzyl butanoate; Benzyl butyrate; Benzyl n-butanoate; Benzyl n-butyrate; n-Butyric acid benzyl ester; Benzylester kyseliny maselne; Butanoic acid, benzyl ester; NSC 8073; Phenylmethyl butanoate; Phenylmethyl butyrate
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Kovats' RI, non-polar column, isothermal
Go To: Top, References, Notes
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 | Capillary | Packed |
|---|---|---|---|---|
| Active phase | SE-30 | SE-30 | SE-30 | SE-30 |
| Column length (m) | 40. | 3.7 | ||
| Carrier gas | ||||
| Substrate | Chromosorb W AW DMCS | |||
| Column diameter (mm) | 0.35 | |||
| Phase thickness (μm) | 0.35 | |||
| Temperature (C) | 120. | 100. | 200. | 200. |
| I | 1306. | 1315.8 | 1337. | 1337. |
| Reference | Tudor and Moldovan, 1999 | Tudor, 1997 | Tarjan, Nyiredy, et al., 1989 | Haken, Hartley, et al., 1983 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D.,
Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation,
J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4
. [all data]
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
Tarjan, Nyiredy, et al., 1989
Tarjan, G.; Nyiredy, Sz.; Gyor, M.; Lombosi, E.R.; Lombosi, T.S.; Budahegyi, M.V.; Meszaros, S.Y.; Takacs, J.M.,
Review. Thirtieth Anniversary of the Retention Index According to Kovats in Gas-Liquid Chromatography,
J. Chromatogr., 1989, 472, 1-92, https://doi.org/10.1016/S0021-9673(00)94099-8
. [all data]
Haken, Hartley, et al., 1983
Haken, J.K.; Hartley, H.N.T.; Srisukh, D.,
Retention increments of aromatic esters,
Chromatographia, 1983, 17, 11, 589-596, https://doi.org/10.1007/BF02261941
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
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