2-Propenoic acid, 3-phenyl-, ethyl ester, (E)-
- Formula: C11H12O2
- Molecular weight: 176.2118
- IUPAC Standard InChI: InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
- IUPAC Standard InChIKey: KBEBGUQPQBELIU-CMDGGOBGSA-N
- CAS Registry Number: 4192-77-2
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: (E)-Ethyl cinnamate; Ethyl cinnamate, trans; Ethyl (E)-cinnamate; trans-Cinnamic acid ethyl ester; Ethyl (2E)-3-phenyl-2-propenoate; trans-ethyl cinnamate
- Information on this page:
- Other data available:
- Options:
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 | MFE-73 | DB-5 |
| Column length (m) | 30. | 30. | |
| Carrier gas | H2 | ||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.1 | 0.25 | |
| Program | not specified | 40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min) | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) |
| I | 1463. | 1460. | 1460. |
| Reference | Pino, Marbot, et al., 2005 | Ferreira, Aznar, et al., 2001 | Guth, 1997 |
| 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]
Ferreira, Aznar, et al., 2001
Ferreira, V.; Aznar, M.; López, R.; Cacho, J.,
Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Differences in the odor profiles of four high-quality spanish aged red wines,
J. Agric. Food Chem., 2001, 49, 10, 4818-4824, https://doi.org/10.1021/jf010283u
. [all data]
Guth, 1997
Guth, H.,
Identification of character impact odorants of different white wine varieties,
J. Agric. Food Chem., 1997, 45, 8, 3022-3026, https://doi.org/10.1021/jf9608433
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.