Butanoic acid, 2-methyl-, 2-phenylethyl ester
- Formula: C13H18O2
- Molecular weight: 206.2808
- IUPAC Standard InChI: InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
- IUPAC Standard InChIKey: KVKKTLBBYFABAZ-UHFFFAOYSA-N
- CAS Registry Number: 24817-51-4
- 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: Phenethyl 2-methylbutyrate; 2-Phenylethyl 2-methylbutanoate; 2-Phenylethyl 2-methylbutyrate; Phenethyl 2-methylbutanoate; Phenylethyl 2-methylbutanoate; FEMA 3632; β-Phenethyl α-methylbutanoate; Butyric acid, 2-methyl-, phenethyl ester; Phenylethyl 2-methylbutyrate
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CP Sil 8 CB | SE-30 |
| Column length (m) | 50. | |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | |
| Phase thickness (μm) | 0.25 | |
| Program | 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min) | not specified |
| I | 1487. | 1472. |
| Reference | Nivinskienë, Butkienë, et al., 2005 | Vinogradov, 2004 |
| Comment | 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.
Nivinskienë, Butkienë, et al., 2005
Nivinskienë, O.; Butkienë, R.; Mockutë, D.,
Chemical composition of seed (fruit) essential oils of Angelica archangelica L. growing wild in Lithuania,
Chemija, 2005, 16, 3-4, 51-54. [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
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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