Ethyl Cinnamate

HCID 637758

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 103-36-6
標準SMILES: CCOC(=O)/C=C/c1ccccc1
InChIKey: KBEBGUQPQBELIU-CMDGGOBGSA-N
分子式: C11H12O2
平均分子量: 176.21 g/mol
単同位体質量: 176.08372962

概要

Ethyl cinnamate is an alkyl cinnamate and an ethyl ester.

名称と識別子

優先名称: Ethyl Cinnamate
IUPAC: ethyl (E)-3-phenylprop-2-enoate

名称と別名

ETHYL CINNAMATE103-36-6EthylcinnamateCinnamic acid ethyl esterEthylcinnamoateethyl (E)-3-phenylprop-2-enoate2-Propenoic acid, 3-phenyl-, ethyl esterEthyl benzylideneacetateFEMA No. 2430SemaSORB 9827C023P3M5JJNSC-6773

名称をさらに表示

DTXCID802520DTXSID9022520RefChem:5810203-104-64192-77-2(E)-ethyl cinnamateEthyl (E)-cinnamateEthyl trans-cinnamate

データベース識別子

CAS: 103-36-6、4192-77-2
PubChem CID: 637758
DTXSID: DTXSID601017688
ChEMBL: CHEMBL318196
ChEBI: CHEBI:4895
UNII: C023P3M5JJ
EC Number: 203-104-6
Nikkaji: J2.849E、J45.977A

物性

構造計算による物性補完中

XLogP: 3
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: 4
重原子数: 13
形式電荷: 0
複雑度: 179

実験および物理化学的性質

Chemical ClassesOther Classes -> Esters, Other

CosmeticsUv absorber

FragrancesFragrance Ingredient (Ethyl cinnamate) -> IFRA transparency List

LogP2.91

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.044-1.051

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (1623 of 1623) of all reports.

Not Classified

Aggregated GHS information provided per 1623 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 5 件

Chemical: 2-Propenoic acid, 3-phenyl-, ethyl ester

Regulation (EC) No 1831/2003 (amended)

2-Propenoic acid, 3-phenyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 3-phenyl-, ethyl 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)

Status: Active Update: 28-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16754

Ethyl cinnamate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Propenoic acid, 3-phenyl-, ethyl ester: Human health tier I assessment

Hazards Summary · 1 件

Causes somnolence and changes in motor activity in acute inhalation studies of mice; Causes blood changes and effects on enzymes in 17-week intermittent oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesNot Classified