Benzeneacetic acid, 4-hydroxy-, methyl ester

HCID 518900
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기본 정보

CAS
14199-15-6
표준 SMILES
COC(=O)Cc1ccc(O)cc1
InChIKey
XGDZEDRBLVIUMX-UHFFFAOYSA-N
분자식
C9H10O3
평균 분자량
166.17 g/mol
단동위원소 질량
166.06299418

개요

Methyl 2-(4-hydroxyphenyl)acetate is a methyl ester resulting from the formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with methanol. It has been isolated from Penicillium chrysogenum. It has a role as a Penicillium metabolite. It is a methyl ester and a member of phenols. It is functionally related to a 4-hydroxyphenylacetic acid.

이름 및 식별자

우선 이름
Benzeneacetic acid, 4-hydroxy-, methyl ester
IUPAC
methyl 2-(4-hydroxyphenyl)acetate
영어명
Methyl 4-hydroxyphenylacetate
분자식
C9H10O3
분자량
166.17

이름 및 동의어

Methyl 4-hydroxyphenylacetateBenzeneacetic acid, 4-hydroxy-, methyl esterMethyl (4-hydroxyphenyl)acetateEINECS 238-050-2AI3-36062DTXSID0065725RefChem:562869DTXCID4034605238-050-214199-15-6methyl 2-(4-hydroxyphenyl)acetate4-Hydroxyphenylacetic acid methyl ester
이름 더 보기
Atenolol Impurity 13METHYL P-HYDROXYPHENYL ACETATEMethyl4-Hydroxyphenylacetate>Methyl 4-hydroxyphenylacetate 99%Methyl 4-hydroxyphenylacetate,99%
MFCD000023874-Hydroxyphenylacetic acid methl esterp-Hydroxyphenylacetic acid methyl ester4-hydroxybenzeneacetic acid methyl ester(4-hydroxyphenyl)acetic acid methyl esterAcetic acid, (p-hydroxyphenyl)-, methyl estermethyl p-hydroxyphenylacetatemethyl 4-hydroxyphenylethanoate

데이터베이스 식별자

CAS
14199-15-6
PubChem CID
518900
DTXSID
DTXSID0065725
ChEBI
CHEBI:68078
UNII
WN72UVQ99P
EC Number
238-050-2
Nikkaji
J31.457I

물성

구조 계산 물성

XLogP
1.5
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
12

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
55 · 55-58 °C (lit.)
끓는 점
162 · 162-163 °C/5 mmHg (lit.)
밀도
1.1708 · 1.1708 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
인화점
163 °C/5mm · 163°C/5mm
저장 조건
Inert atmosphere,Room Temperature

화학적 성질

WHITE TO PALE YELLOW CRYSTALS

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4% (2 of 50) of reports.

Warning

H315 (96%): 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 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 21-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18649
Hazard Classes and CategoriesSkin Irrit. 2 (96%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29182990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetic acid, 4-hydroxy-, methyl ester: ACTIVE

응용 분야

용도Methyl 4-hydroxyphenylacetate was used in the synthesis of 4-(2-hydroxy-3-isopropylamino)propoxyphenylacetic acid.

일반 설명Methyl 4-hydroxyphenylacetate inhibits the activity of tobacco mosaic virus (TMV).

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

추가 설명

정의ChEBI: A methyl ester resulting from the formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with methanol. It has been isolated from Penicillium chrysogenum.

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