Ethyl 4-hydroxyhydrocinnamate

HCID 2736435

노트 반응

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기본 정보

CAS: 23795-02-0
표준 SMILES: CCOC(=O)CCc1ccc(O)cc1
InChIKey: UFMFPPAZUJDUMY-UHFFFAOYSA-N
분자식: C11H14O3
평균 분자량: 194.23 g/mol
단동위원소 질량: 194.0942943

이름 및 식별자

우선 이름: Ethyl 4-hydroxyhydrocinnamate
IUPAC: ethyl 3-(4-hydroxyphenyl)propanoate
영어명: Ethyl 4-Hydroxyhydrocinnamate
분자식: C11H14O3
분자량: 194.23

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 40 °C · 40 °C
끓는 점: 140 °C · 140 °C(Press: 0.2 Torr)
밀도: 1.108 · 1.108
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: low melting solid / colourless liquid
산도 계수 (pKa): 9.99 · 9.99±0.15(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 5건

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.