Propanoic acid, 2-methyl-, 2-phenylethyl ester
- Formula: C12H16O2
- Molecular weight: 192.2542
- IUPAC Standard InChI: InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
- IUPAC Standard InChIKey: JDQVBGQWADMTAM-UHFFFAOYSA-N
- CAS Registry Number: 103-48-0
- 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: Isobutyric acid, phenethyl ester; β-Phenylethyl isobutyrate; Benzylcarbinol isobutyrate; Benzylcarbinyl isobutyrate; Phenethyl isobutyrate; 2-Phenylethyl isobutyrate; Phenylethyl isobutyrate; 2-Phenylethyl 2-methylpropionate; 2-Phenylethyl isobutanoate; Phenethyl 2-methylpropanoate; Phenylethyl 2-methylpropanoate; Phenethyl 2-methylpropionate; 2-Phenylethyl 2-methylpropanoate
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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 | Capillary |
|---|---|---|---|
| Active phase | ZB-1 | DB-1 | ZB-1 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | Nitrogen | He | N2 |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 50. | 45. |
| Tend (C) | 230. | 220. | 230. |
| Heat rate (K/min) | 3. | 6. | 3. |
| Initial hold (min) | 2. | ||
| Final hold (min) | 20. | ||
| I | 1368. | 1371. | 1368. |
| Reference | Mierendorff, Stahl-Biskup, et al., 2008 | Audino, Alzogaray, et al., 2007 | Mierendorff, Stahl-Biskup, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?CapeChamomileOil/. [all data]
Audino, Alzogaray, et al., 2007
Audino, P.G.; Alzogaray, R.A.; Vassena, C.; Masuh, H.; Fontán, A.; Gatti, P.; Martínez, A.; Camps, F.; Cork, A.; Zerba, E.,
Volatile compounds secreted by Brindley's glands of adult Triatoma infestans: identification and biological activity of previously unidentified compounds,
Journal of Vector Ecology, 2007, 32, 1, 75-82, https://doi.org/10.3376/1081-1710(2007)32[75:VCSBBO]2.0.CO;2
. [all data]
Mierendorff, Stahl-Biskup, et al., 2003
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctulatus),
Flavour Fragr. J., 2003, 18, 6, 510-514, https://doi.org/10.1002/ffj.1259
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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