CAS 23795-02-0 Ethyl 4-hydroxyhydrocinnamate (HCID 2736435)

基本情報

CAS: 23795-02-0
標準SMILES: CCOC(=O)CCc1ccc(O)cc1
InChIKey: UFMFPPAZUJDUMY-UHFFFAOYSA-N
分子式: C11H14O3
平均分子量: 194.23 g/mol
単同位体質量: 194.0942943

名称と識別子

優先名称: Ethyl 4-hydroxyhydrocinnamate
IUPAC: ethyl 3-(4-hydroxyphenyl)propanoate
現地名: 3-(4-ヒドロキシフェニル)プロピオン酸エチル
英語名: Ethyl 4-Hydroxyhydrocinnamate
分子式: C11H14O3
分子量: 194.23

名称と別名

ETHYL 4-HYDROXYHYDROCINNAMATERefChem:595448653-330-8Ethyl 3-(4-hydroxyphenyl)propanoate23795-02-0Ethyl p-hydroxyhydrocinnamateEthyl phloretateethyl 3-(4-hydroxyphenyl)propionateMFCD00020209Benzenepropanoic acid, 4-hydroxy-, ethyl ester3-(4-Hydroxyphenyl)propionic acid ethyl ester3-(4-hydroxy-phenyl)-propionic acid ethyl ester

名称をさらに表示

3-(4-ヒドロキシフェニル)プロピオン酸エチル3-(4-ヒドロキシフェニル)プロパン酸エチルLandiolol Impurity 76Ethyl 4-Hydroxyhydrocinnamate USP/EP/BPEthyl 3-(4-hydroxyphenyl)propanoate 95%Ethyl 3-(4-hydroxyphenyl)propanoate, 95+%3-(4-hydroxyphenyl)propanoic acid ethyl ester

Ethyl4-HydroxyhydrocinnamateEthyl3-(4-Hydroxyphenyl)propanoateSCHEMBL304455Ethyl p-hydroxyphenylpropionate8R568DFF4Tethyl 4-hydroxybenzenepropanoateorb1991517SCHEMBL5543917

データベース識別子

CAS: 23795-02-0
PubChem CID: 2736435
DTXSID: DTXSID80371361
UNII: 8R568DFF4T
EC Number: 653-330-8
Nikkaji: J1.776.138B

物性

構造計算による物性

XLogP: 2.4
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 14
形式電荷: 0
複雑度: 171

物理化学的性質

融点: 40 °C · 40 °C
沸点: 140 °C · 140 °C(Press: 0.2 Torr)
比重(密度): 1.108 · 1.108
貯蔵温度: Inert atmosphere,Room Temperature
外見: low melting solid / colourless liquid
酸解離定数(Pka): 9.99 · 9.99±0.15(Predicted)
色: White
CAS データベース: 23795 · 23795-02-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.