β-Phenylethyl butyrate
- Formula: C12H16O2
- Molecular weight: 192.2542
- IUPAC Standard InChI: InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
- IUPAC Standard InChIKey: WFNDDSQUKATKNX-UHFFFAOYSA-N
- CAS Registry Number: 103-52-6
- 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: Butanoic acid, 2-phenylethyl ester; Benzylcarbinyl butyrate; Butyric acid, phenethyl ester; Phenethyl butyrate; Phenylethyl butyrate; 2-Phenylethyl butanoate; 2-Phenylethyl butyrate; 2-Phenethyl butanoate; β-Phenethyl n-butanoate; β-Phenylethyl n-butyrate; Phenethyl butanoate
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- Other data available:
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Kovats' RI, polar column, temperature ramp
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 |
|---|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 60. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 35. | 40. | 40. |
| Tend (C) | 200. | 200. | 200. |
| Heat rate (K/min) | 3. | 3. | 3. |
| Initial hold (min) | 5. | 5. | 5. |
| Final hold (min) | 20. | ||
| I | 1930. | 1975. | 1978. |
| Reference | Wong and Teng, 1994 | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425
. [all data]
Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H.,
Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling,
J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015
. [all data]
Notes
Go To: Top, Kovats' RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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