CAS 50-85-1 2-Hydroxy-p-toluic acid (HCID 5788)

개요

4-methylsalicylic acid is a monohydroxybenzoic acid consisting of salicylic acid having a methyl group at the 4-position. It is functionally related to a salicylic acid.

이름 및 식별자

우선 이름: 2-Hydroxy-p-toluic acid
IUPAC: 2-hydroxy-4-methylbenzoic acid
영어명: 4-Methylsalicylic acid
분자식: C8H8O3
분자량: 152.15

이름 및 동의어

2-Hydroxy-p-toluic acidRefChem:999434-METHYLSALICYLIC ACID50-85-12-Hydroxy-4-methylbenzoic acidm-Cresotic acid2,4-Cresotic acidm-Cresotinic acidm-Homosalicylic acid4-Methyl-2-hydroxybenzoic acidgamma-Cresotic acidBenzoic acid, 2-hydroxy-4-methyl-

이름 더 보기

2-Hydroxy-4-Me2,4-cresoticacid4-Methylsalicylicgamma-cresoticacid

4-methyl salicylic acid4-MethylsalicylateMFCD00002454NSC 16634.gamma.-Cresotic acid4-Methylsalicyclic acid2-Hydroxy-4-methyl-benzoic acidNSC16634

데이터베이스 식별자

CAS: 50-85-1
PubChem CID: 5788
DTXSID: DTXSID30198166
ChEMBL: CHEMBL1650625
ChEBI: CHEBI:20450
UNII: 4H0106V3D3
EC Number: 200-068-3
Nikkaji: J4.108D

물성

구조 계산 물성

XLogP: 3
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 155

실험 및 물리화학적 성질

LogP2.8

물리화학적 성질

녹는점: 173 · 173-177 °C (lit.)
끓는 점: 234.6 °C · 234.6°C (rough estimate)
밀도: 1.2143 · 1.2143 (rough estimate)
굴절률: 1.4945 · 1.4945 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨, 초음파 처리), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): 1 · pK1:3.17 (25°C)
색상: 흰색에서 회색빛이 도는 베이지색
수용성: 10 g/L · 물에 불용성 10g/L @ 20℃.
Merck: 14 · 14,2580
BRN: 2208140 · 2208140
InChI: 1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
InChIKey: NJESAXZANHETJV-UHFFFAOYSA-N
SMILES: Cc1ccc(C(O)=O)c(O)c1
NIST: 2 · 2-Hydroxy-4-methylbenzoic acid(50-85-1)

화학적 성질

4-Methylsalicylic acid is white to greyish-beige powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (98.1%): 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 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzoic acid, 2-hydroxy-4-methyl-

Status: No longer Valid Update: 15-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20528

Hazard Classes and CategoriesAcute Tox. 4 (98.1%)

안전 데이터

wgk: 3
rtecs: GP3920100
HS 번호: 29182900
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Methylsalicylic acid is similar to salicylic acid. Used in manufacturing of dyes.

일반 설명The heteroleptic tris-cyclometalated iridium(III) complex with 4-methylsalicylic acid (Msal) was synthesized and characterized.

상·하류 제품 정보

하류 제품

9H-Xanthen-9-one, 3,6-dimethyl-메틸5-브로모-2-하이드록시-4-메틸벤조에이트 메틸4-(브로모메틸)-2-메톡시벤조에이트 메틸2-METHOXY-4-메틸렌졸레이트 2-HYDROXY-5-IODO-4-메틸벤조산 메틸2-메톡시-4-메틸-5-니트로벤조에이트 2-하이드록시-4-메틸-5-니트로-벤조산메틸에스테르 2-히드록시-4-메틸-5-니트로-벤조산

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

정의4-Methylsalicylic acid is a monohydroxybenzoic acid consisting of salicylic acid having a methyl group at the 4-position.

화합물 노트

불러오는 중…

2-Hydroxy-p-toluic acid

기본 정보

개요