| 2D Structure | |
| CID | 5357002 |
| Target | / |
| IUPAC Name | 2-phenylethyl (E)-2-methylbut-2-enoate |
| 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+ |
| InChI Key | KVMWYGAYARXPOL-QDEBKDIKSA-N |
| Canonical SMILES | CC=C(C)C(=O)OCCC1=CC=CC=C1 |
| Isomeric SMILES | C/C=C(\C)/C(=O)OCCC1=CC=CC=C1 |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.26 |
| synonyms | ['Phenethyl tiglate', '55719-85-2', '2-Phenylethyl tiglate', 'Phenylethyl tiglate', 'Phenethyl 2-methylcrotonate', '2-phenylethyl (E)-2-methylbut-2-enoate', 'FEMA No. 2870', 'Phenylethyl-alpha-methylbutenoate', '2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (2E)-', 'EINECS 259-774-5', '2-Phenylethyl trans-2-methylbutenoate', '2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)-', 'BRN 2523411', 'DTXSID8047684', 'AI3-05783', '2-Phenylethyl 2-methyl-2-butenoate, (E)-', 'NSC-69122', '121LO7146V', 'DTXCID6027684', 'PHENETHYL TIGLATE [FHFI]', '.BETA.-PHENYLETHYL TIGLATE', '1-06-00-00238 (Beilstein Handbook Reference)', '2-BUTENOIC ACID, 2-METHYL-, PHENETHYL ESTER', 'beta-Phenylethyl tiglate', 'FEMA 2870', '2-phenylethyl (2E)-2-methylbut-2-enoate', 'Phenyl ethyl tiglate', 'UNII-121LO7146V', 'Fema2870', 'Phenyl ethyl angelate, 2-', 'SCHEMBL872900', 'SCHEMBL873497', 'CHEMBL3560718', 'CHEBI:195940', 'NSC69122', 'Tox21_302686', 'NCGC00256845-01', 'CAS-55719-85-2', 'Phenethyl tiglate, >=95%, stabilized, FG', 'NS00013125', 'G58030', 'EN300-23051428', '2-Butenoic acid,2-methyl-,2-phenylethyl ester,(2E)-', 'Q27251355'] |
From Pubchem