Methoxyphenylacetic acid

HCID 107202CAS 104-01-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(C(=O)O)c1ccccc1
InChIKey
DIWVBIXQCNRCFE-UHFFFAOYSA-N
분자식
C9H10O3
평균 분자량
166.17 g/mol
단동위원소 질량
166.06299418

개요

DL-alpha-Methoxyphenylacetic acid is a benzyl ether.

이름 및 식별자

우선 이름
Methoxyphenylacetic acid
IUPAC
2-methoxy-2-phenylacetic acid
영어명
DL-alpha-Methoxyphenylacetic acid
분자식
C9H10O3
분자량
166.17

이름 및 동의어

2-methoxy-2-phenylacetic acid7021-09-2Methoxyphenylacetic acidBenzeneacetic acid, .alpha.-methoxy-DTXSID9020829Benzeneacetic acid, alpha-methoxy-NSC-5665DTXCID90829EINECS 247-492-5(S)-(-)-alpha-Methoxyphenylacetic acid(RS)-2-METHOXY-2-PHENYLACETIC ACIDRefChem:811825
이름 더 보기
DL-α-Methoxyphenylacetic Acid￥1,870,653.00DL-O-METHYLMANDELIC ACIDDL-METHOXYPHENYLACETIC ACIDDL-A-METHOXYPHENYLACETIC ACID()-(methoxy)phenylacetic acidBenzeneaceticacid, a-methoxy-
METHOXYPHENYLACETIC ACID, (+-)-Methoxy(phenyl)acetic acidDL-alpha-METHOXYPHENYLACETIC ACIDMOPA1701-77-5alpha-Methoxyphenylacetic acidAcetic acid, methoxyphenyl-O-Methyl-DL-mandelic acid

데이터베이스 식별자

CAS
104-01-8、1701-77-5、26164-26-1、3966-32-3、7021-09-2
PubChem CID
107202
DTXSID
DTXSID9020829
ChEMBL
CHEMBL3182106
ChEBI
CHEBI:167718
UNII
MAT0P17A95
EC Number
216-933-3、230-300-9、247-492-5
Nikkaji
J2.433.035D、J7.565E

물성

구조 계산 물성

XLogP
1.4
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
69 · 69-71 °C(lit.)
끓는 점
165 °C18 · 165 °C18 mm Hg(lit.)
밀도
1.1708 · 1.1708 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
soluble in Ethanol,Chloroform,Acetone,Methanol,Ether

화학적 성질

off-white to light beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Warning

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

Skin Irrit. 2 (97.7%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29189900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetic acid, .alpha.-methoxy-: ACTIVE

응용 분야

용도DL-alpha-Methoxyphenylacetic acid has been used in the enantioresolution of two diastereomeric esters by HPLC.

일반 설명Enantiomers of α-methoxyphenylacetic acid has been resolved as amide derivatives on chiral statinary phases by HPLC. α-Methoxyphenylacetic acid is also known as Trost′s chiral acid.

상·하류 제품 정보

공급사21 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

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