Propanoic acid, 2-methyl-, 3-phenylpropyl ester
- Formula: C13H18O2
- Molecular weight: 206.2808
- IUPAC Standard InChI: InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
- IUPAC Standard InChIKey: VBTAKMZSMFMLGT-UHFFFAOYSA-N
- CAS Registry Number: 103-58-2
- 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: Hydrocinnamyl isobutyrate; Isobutyric acid, 3-phenylpropyl ester; 3-Phenylpropyl isobutyrate; Phenylpropyl iso-butyrate
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Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZEBRON-5 | 1408. | Öztürk, Akay, et al., 2002 | 6. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 200. C @ 15. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1490. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1996. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Öztürk, Akay, et al., 2002
Öztürk, M.; Akay, F.; Duru, M.E.; Bilsel, G.; Harmandar, M.,
The volatile oil constituents and biological activity of aerial part of Inula heterolepis Boiss.,
Proc. ICNP-2002 - Trabzon/Turkiye, 2002, 298-303. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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