2-Propenoic acid, 3-phenyl-, methyl ester

HCID 7644CAS 103-26-4

基本情報

標準SMILES: COC(=O)C=Cc1ccccc1
InChIKey: CCRCUPLGCSFEDV-UHFFFAOYSA-N
分子式: C10H10O2
平均分子量: 162.18 g/mol
単同位体質量: 162.06807956

概要

methyl (E/Z)-cinnamate has been reported in Alpinia hainanensis, Alpinia mutica, and other organisms with data available.

名称と識別子

優先名称: 2-Propenoic acid, 3-phenyl-, methyl ester
IUPAC: methyl 3-phenylprop-2-enoate

名称と別名

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

名称をさらに表示

SCHEMBL7271263SCHEMBL8846066CHEMBL3560502SCHEMBL10412612SCHEMBL11462932SCHEMBL11462933SCHEMBL27417092s6221

データベース識別子

CAS: 103-26-4
PubChem CID: 7644
DTXSID: DTXSID6042151
ChEMBL: CHEMBL3560502

物性

構造計算による物性

XLogP: 2.6
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 167

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

LogP2.62

Physical DescriptionLiquid

安全と法規制

危険有害性情報

Regulatory Information · 3 件

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