에틸4-하이드록시만델레이트

Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester

HCID 111357

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 68758-68-9
표준 SMILES: CCOC(=O)C(O)c1ccc(O)cc1
InChIKey: VLOUFSKXRCPIQR-UHFFFAOYSA-N
분자식: C10H12O4
평균 분자량: 196.2 g/mol
단동위원소 질량: 196.07355886

이름 및 식별자

우선 이름: Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester
IUPAC: ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate
현지명: 에틸4-하이드록시만델레이트
영어명: Ethyl 4-hydroxymandelate
분자식: C10H12O4
분자량: 196.2

이름 및 동의어

68758-68-9Ethyl alpha,4-dihydroxyphenylacetateBenzeneacetic acid, .alpha.,4-dihydroxy-, ethyl esterDTXSID00887494Benzeneacetic acid, alpha,4-dihydroxy-, ethyl esterRefChem:562884DTXCID601026786ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetateEthyl 4-hydroxymandelateEthyl 4-hydroxy-dl-mandelate4-Hydroxymandelic acid ethyl esterMFCD00020180

이름 더 보기

에틸4-하이드록시만델레이트Ethyl α,4-dihydroxybenzeneacetateα,4-Dihydroxybenzeneacetic acid ethyl esterethyl 2-hydroxy-2-(4-hydroxyphenyl)ethanoatealpha,4-dihydroxy-benzeneaceticaciethylesterBenzeneacetic acid, α,4-dihydroxy-, ethyl ester2-Hydroxy-2-(4-hydroxyphenyl)acetic acid ethyl ester

Ethyl hydroxy(4-hydroxyphenyl)acetateSCHEMBL5209865AKOS009159478FH67870PS-3695Ethyl hydroxy(4-hydroxyphenyl)acetate #DB-055187CS-0206788

데이터베이스 식별자

CAS: 68758-68-9
PubChem CID: 111357
DTXSID: DTXSID00887494
EC Number: 677-016-5
Nikkaji: J441.211G

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 185

물리화학적 성질

녹는점: 129 · 129-131°C
끓는 점: 346.9 · 346.9±27.0 °C(Predicted)
밀도: 1.262 · 1.262±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 9.63 · 9.63±0.26(Predicted)
물리적 상태: 가루
색상: 하얀색
BRN: 3132065 · 3132065
EPA: 4 · Benzeneacetic acid, .alpha.,4-dihydroxy-, ethyl ester (68758-68-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.