Butanoic acid, 1,1-dimethyl-2-phenylethyl ester
- Formula: C14H20O2
- Molecular weight: 220.3074
- IUPAC Standard InChI: InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
- IUPAC Standard InChIKey: SHSGYHAHMQLYRB-UHFFFAOYSA-N
- CAS Registry Number: 10094-34-5
- 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, α,α-dimethylphenethyl ester; α,α-Dimethylphenethyl alcohol, butyrate; α,α-Dimethylphenethyl butyrate; Benzyl dimethylcarbinyl butyrate; Benzyl dimethylcarbinyl n-butyrate; Dimethylbenzylcarbinyl butyrate; Dimethyl benzyl carbinyl n-butyrate; 1,1-Dimethyl-2-phenylethyl 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 | CP Sil 8 CB | 1488. | Wang, Guo, et al., 2004 | 30. m/0.32 mm/0.25 μm, 50. C @ 5. min, 5. K/min; Tend: 200. C |
| Capillary | OV-101 | 1476. | Egolf and Jurs, 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1889. | Egolf and Jurs, 1993 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wang, Guo, et al., 2004
Wang, H.; Guo, Y.; Zhang, Z.; An, D.,
Fast analysis of volatile compounds in natural essences by automatic Static-Headspace-GC-MS,
J. Instrum. Anal. (Chinese), 2004, 23, 1, 9-13. [all data]
Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C.,
Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds,
Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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