Butanoic acid, 3-methyl-, 2-phenylethyl ester
- Formula: C13H18O2
- Molecular weight: 206.2808
- IUPAC Standard InChI: InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
- IUPAC Standard InChIKey: JIMGVOCOYZFDKB-UHFFFAOYSA-N
- CAS Registry Number: 140-26-1
- 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: Isovaleric acid, phenethyl ester; β-Phenylethyl isovalerate; Phenethyl isovalerate; 2-Phenylethyl 3-methylbutanoate; Phenylethyl isovalerate; 2-Phenylethyl 3-methylbutirate; 2-Phenylethyl isopentanoate; 2-phenylethyl isovalerate; Phenyl ethyl 3-methyl-butanoate; phenylethyl 3-methylbutyrate
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Normal alkane RI, 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 | Carbowax 20M | HP-Innowax |
| Column length (m) | 60. | |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | |
| Phase thickness (μm) | 0.25 | |
| Program | not specified | 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C |
| I | 1955. | 1992. |
| Reference | Vinogradov, 2004 | Baser, Demirci, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Baser, Demirci, et al., 2001
Baser, K.H.C.; Demirci, B.; Tabanca, N.; Özek, T.; Gören, N.,
Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. fil.) Grierson and the enantiomeric distribution of camphor and carvone,
Flavour Fragr. J., 2001, 16, 3, 195-200, https://doi.org/10.1002/ffj.977
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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