Acetic acid, phenyl-, isopentyl ester
- Formula: C13H18O2
- Molecular weight: 206.2808
- IUPAC Standard InChI: InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
- IUPAC Standard InChIKey: QWBQBUWZZBUFHN-UHFFFAOYSA-N
- CAS Registry Number: 102-19-2
- 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: Benzeneacetic acid, 3-methylbutyl ester; Isoamyl phenylacetate; Isopentyl phenylacetate; Phenylacetic acid, isopentyl ester; Phenylacetic acid isoamyl ester; Isopentyl alcohol, phenylacetate; Phenylacetic acid, 3-methylbutyl ester; 3-Methylbutyl phenylacetate; NSC 60582
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | RTX-5 | SE-30 | HP-5 |
| Column length (m) | 30. | 50. | |||
| Carrier gas | N2 | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | |||
| Phase thickness (μm) | 0.25 | 1.05 | |||
| Program | not specified | not specified | not specified | not specified | not specified |
| I | 1490. | 1499. | 1470. | 1468. | 1503.0 |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Ádámová, Orinák, et al., 2005 | Vinogradov, 2004 | David, Scanlan, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L.,
Retention indices as identification tool in pyrolysis-capillary gas chromatography,
J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
David, Scanlan, et al., 2002
David, F.; Scanlan, F.; Sandra, P.; Szelewski, M.,
Analysis of essential oil compounds using retention time locked methods and retention time databases, 2002, retrieved from http://www.chem.agilent.com. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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