2-Phenylethyl tiglate
- Formula: C13H16O2
- Molecular weight: 204.2649
- IUPAC Standard InChI: InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+
- IUPAC Standard InChIKey: KVMWYGAYARXPOL-QDEBKDIKSA-N
- CAS Registry Number: 55719-85-2
- 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:
- Other names: Phenylethyl tiglate; 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)-; trans-2-Butenoic acid, 2-methyl-, phenethyl ester; Phenethyl tiglate; Phenylethyl α-methylbutenoate, (E)-; β-Phenylethyl tiglate; 2-Phenylethyl (2E)-2-methyl-2-butenoate; trans-2-Methyl-2-butenoic acid, phenethyl ester; 2-Phenylethyl (E)-2-methyl-2-butenoate; Phenylethyl (E)-2-methyl-2-butenoate; 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (2E)-; 2-Phenylethanol tiglate; phenethyl 2-methylcrotonate
- 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 | DB-5 | Polydimethyl siloxane with 5 % Ph groups | SE-30 |
| Column length (m) | 50. | ||
| Carrier gas | Helium | ||
| Substrate | |||
| Column diameter (mm) | 0.32 | ||
| Phase thickness (μm) | 0.25 | ||
| Program | 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C | not specified | not specified |
| I | 1585. | 1589. | 1562. |
| Reference | Nivinsliene, Butkiene, et al., 2007 | Pino, Marbot, et al., 2005 | Vinogradov, 2004 |
| 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.
Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B.,
Influence of urban environment on chemical composition of Tilia cordata essential oil,
Chemija, 2007, 18, 1, 44-49. [all data]
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]
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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