Basic information
- Standard SMILES
COC(=O)C=Cc1ccccc1- InChIKey
CCRCUPLGCSFEDV-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Overview
methyl (E/Z)-cinnamate has been reported in Alpinia hainanensis, Alpinia mutica, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-phenyl-, methyl ester
- IUPAC
- methyl 3-phenylprop-2-enoate
Names & synonyms
2-Propenoic acid, 3-phenyl-, methyl esterRefChem:1064576methyl 3-phenylprop-2-enoateBenzeneacrylic acid methyl esterNSC 9411Monomethylcinnamat3-Phenyl-2-propenoic acid methyl esterMethyl ester of Cinnamic acidSCHEMBL112062SCHEMBL2159462SCHEMBL6249968SCHEMBL6249973
Show more names
SCHEMBL7271263SCHEMBL8846066CHEMBL3560502SCHEMBL10412612SCHEMBL11462932SCHEMBL11462933SCHEMBL27417092s6221
Database identifiers
- CAS
103-26-4- PubChem CID
- 7644
- DTXSID
DTXSID6042151- ChEMBL
CHEMBL3560502
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP2.62
Physical DescriptionLiquid
Safety & regulation
Hazard information
Regulatory Information
Chemical: 2-Propenoic acid, 3-phenyl-, methyl ester
2-Propenoic acid, 3-phenyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 3-phenyl-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2-Propenoic acid, 3-phenyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Propenoic acid, 3-phenyl-, methyl ester: Human health tier I assessment
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 175 lb
Consumer UsesFragrance
General Manufacturing Information2-Propenoic acid, 3-phenyl-, methyl ester: ACTIVE
Related reactions
68 records
Linked notes
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