Grundinformationen
- Standard-SMILES
COC(=O)C=Cc1ccccc1- InChIKey
CCRCUPLGCSFEDV-UHFFFAOYSA-N- Summenformel
- C10H10O2
- Durchschnittliche Molmasse
- 162,18 g/mol
- Monoisotopische Masse
- 162,06807956
Überblick
methyl (E/Z)-cinnamate has been reported in Alpinia hainanensis, Alpinia mutica, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- 2-Propenoic acid, 3-phenyl-, methyl ester
- IUPAC
- methyl 3-phenylprop-2-enoate
Namen und Synonyme
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
Weitere Namen anzeigen
SCHEMBL7271263SCHEMBL8846066CHEMBL3560502SCHEMBL10412612SCHEMBL11462932SCHEMBL11462933SCHEMBL27417092s6221
Datenbank-Bezeichner
- CAS
103-26-4- PubChem CID
- 7644
- DTXSID
DTXSID6042151- ChEMBL
CHEMBL3560502
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 167
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
LogP2.62
Physical DescriptionLiquid
Sicherheit und Regulatorisches
Gefahrenhinweise
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
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 175 lb
Consumer UsesFragrance
General Manufacturing Information2-Propenoic acid, 3-phenyl-, methyl ester: ACTIVE
Zugehörige Reaktionen
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