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

HCID 7644CAS 103-26-4

기본 정보

표준 SMILES: COC(=O)C=Cc1ccccc1
InChIKey: CCRCUPLGCSFEDV-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

개요

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

이름 및 식별자

우선 이름: 2-Propenoic acid, 3-phenyl-, methyl ester
IUPAC: methyl 3-phenylprop-2-enoate

이름 및 동의어

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

이름 더 보기

SCHEMBL7271263SCHEMBL8846066CHEMBL3560502SCHEMBL10412612SCHEMBL11462932SCHEMBL11462933SCHEMBL27417092s6221

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 167

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

LogP2.62

Physical DescriptionLiquid

안전 및 규제

유해성 정보

Regulatory Information · 3건

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