Methyl (2-hydroxyphenyl)acetate

HCID 89719CAS 22446-37-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)Cc1ccccc1O
InChIKey
BVBSGGBDFJUSIH-UHFFFAOYSA-N
분자식
C9H10O3
평균 분자량
166.17 g/mol
단동위원소 질량
166.06299418

개요

Methyl (2-hydroxyphenyl)acetate is a member of phenols.

이름 및 식별자

우선 이름
Methyl (2-hydroxyphenyl)acetate
IUPAC
methyl 2-(2-hydroxyphenyl)acetate
영어명
(2-HYDROXY-PHENYL)-ACETIC ACID METHYL ESTER
분자식
C9H10O3
분자량
166.17

이름 및 동의어

22446-37-3Methyl (2-hydroxyphenyl)acetateEINECS 245-004-5DTXSID30176989RefChem:811936DTXCID1099480245-004-5Methyl 2-(2-hydroxyphenyl)acetate(2-Hydroxy-phenyl)-acetic acid methyl ester2-Hydroxy-benzeneacetic acid methyl esterBenzeneacetic acid, 2-hydroxy-, methyl estermethyl 2-hydroxyphenylacetate
이름 더 보기
Methyl o-hydroxyphenylacetateMethyl 2-hydroxybenzeneacetatevMethyl 2-(2-hydroxyphenyl)acetate2-Hydroxybenzeneacetic acid methyl ester
methyl(2-hydroxyphenyl)acetateMFCD00090077Acetic acid, (o-hydroxyphenyl)-, methyl estero-Hydroxyphenylacetic acid, methyl esterMethyl 2-hydroxyphenyl acetate(2-hydroxyphenyl)acetic acid methyl esterMethyl2-(2-hydroxyphenyl)acetate2-(2-Hydroxyphenyl)acetic Acid Methyl Ester;Methyl (2-Hydroxyphenyl)acetate; Methyl 2-Hydroxybenzeneacetate;Methyl o-Hydroxyphenylacetate;

데이터베이스 식별자

CAS
22446-37-3
PubChem CID
89719
DTXSID
DTXSID30176989
ChEMBL
CHEMBL450221
ChEBI
CHEBI:180585
EC Number
245-004-5
Nikkaji
J127.889D

물성

구조 계산 물성

XLogP
1.2
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
12

물리화학적 성질

녹는점
122 · 122-124℃
끓는 점
115 · 115-120℃ (0.3 Torr)
밀도
1.181 · 1.181±0.06 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도
에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호
2916399090

화학 및 산업

응용 분야

용도Methyl 2-(2-Hydroxyphenyl)acetate is used as a reactant in the preparation of caffeic acid phenylethyl esters as antiproliferative agents.

상·하류 제품 정보

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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