Ethyl Ferulate

HCID 736681CAS 4046-02-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=O)/C=C/c1ccc(O)c(OC)c1
InChIKey: ATJVZXXHKSYELS-FNORWQNLSA-N
分子式: C12H14O4
平均分子量: 222.24 g/mol

概要

ethyl ferulate has been reported in Coptis japonica, Solanum nigrum, and other organisms with data available.

名称と識別子

優先名称: Ethyl Ferulate
IUPAC: ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

名称と別名

Ethyl ferulate4046-02-0Ethyl 4-hydroxy-3-methoxycinnamateethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFerulic acid, ethyl ester5B8915UELWORISTRACT EFNOMCORT EFNSC-14879DTXSID001021502RefChem:138929DTXCID801506566

名称をさらに表示

ETHYL 4'-HYDROXY-3'-METHOXYCINNAMAT2-Propenoic Acid, 3-(4-Hydroxy-3-Methoxyphenyl)-, Ethyl223-745-5Ferulic acid ethyl esterEthyl 4'-hydroxy-3'-methoxycinnamate28028-62-8ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylateEthyl (E)-ferulate

データベース識別子

CAS: 4046-02-0
PubChem CID: 736681
ChEMBL: CHEMBL286796
UNII: 5B8915UELW
EC Number: 223-745-5
Nikkaji: J217.860E、J729.906K

物性

構造計算による物性

XLogP: 2.2
極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 16
形式電荷: 0
複雑度: 249

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.