Propanoic acid, 2-phenylethyl ester
- Formula: C11H14O2
- Molecular weight: 178.2277
- IUPAC Standard InChI: InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
- IUPAC Standard InChIKey: HVGZQCSMLUDISR-UHFFFAOYSA-N
- CAS Registry Number: 122-70-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Propionic acid, phenethyl ester; Benzylcarbinyl propionate; Phenethyl alcohol, propionate; Phenethyl propionate; Phenylethyl propionate; β-Phenylethyl propionate; ENT 18544; Propionic acid, 2-phenylethyl ester; 2-Phenethyl propionate; 2-Phenylethyl propionate; Phenylethyl n-propionate; 2-Phenylethanol, propanoate; 2-Phenyl ethyl propanoate; Phenethyl propanoate; Phenylethyl propanoate; EcoPCO ACU; NSC 404457
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Normal alkane RI, non-polar column, custom temperature program
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 | Polydimethyl siloxane with 5 % Ph groups | SE-30 | HP-5 |
| Column length (m) | 30. | ||
| Carrier gas | |||
| Substrate | |||
| Column diameter (mm) | 0.25 | ||
| Phase thickness (μm) | 0.25 | ||
| Program | not specified | not specified | 40C(6min) => 2.5C/min => 150C => 90C/min => 250C |
| I | 1350. | 1328. | 1350. |
| Reference | Pino, Marbot, et al., 2005 | Vinogradov, 2004 | Jordán, Margaría, et al., 2003 |
| Comment | MSDC-RI | 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.
Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2005, 20, 98-100. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L.,
Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O,
J. Agric. Food Chem., 2003, 51, 5, 1421-1426, https://doi.org/10.1021/jf020765l
. [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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