3-Hydroxy-4-methylbenzoic acid

HCID 68512CAS 586-30-1

기본 정보

표준 SMILES: Cc1ccc(C(=O)O)cc1O
InChIKey: ZQLCWPXBHUALQC-UHFFFAOYSA-N
분자식: C8H8O3
평균 분자량: 152.15 g/mol
단동위원소 질량: 152.04734412

이름 및 식별자

우선 이름: 3-Hydroxy-4-methylbenzoic acid
IUPAC: 3-hydroxy-4-methylbenzoic acid
영어명: 3-Hydroxy-4-methylbenzoic acid
분자식: C8H8O3
분자량: 152.15

이름 및 동의어

3-Hydroxy-4-methylbenzoic acid586-30-13-Hydroxy-p-toluic acid3,4-Cresotic acid9TFP4SJ9ZT4-methyl-3-hydroxybenzoic acidEINECS 209-571-2NSC-67717NSC-75850DTXSID40207319NSC 67717NSC 75850

이름 더 보기

3-Hydroxy-p-toluylsure5-Carboxy-2-methylphenol3-Hydroxy-4-methylbenzoic4-Carboxy-2-hydroxytolueneMethyl Hydroxybenzoic Acid3-HYDROXY-P-TOLUIC ACID 98+%

3-hydroxy-4-methylbenzoateRefChem:94167DTXCID90129810209-571-2InChI=1/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11ZQLCWPXBHUALQC-UHFFFAOYSA-N3-Hydroxy-4-methyl-benzoic acidBenzoic acid, 3-hydroxy-4-methyl-

데이터베이스 식별자

CAS: 586-30-1
PubChem CID: 68512
DTXSID: DTXSID40207319
UNII: 9TFP4SJ9ZT
EC Number: 209-571-2
Nikkaji: J95.432B

물성

구조 계산 물성

XLogP: 1.5
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

물리화학적 성질

녹는점: 205 · 205-210 °C(lit.)
끓는 점: 234.6 °C · 234.6°C (rough estimate)
밀도: 1.2143 · 1.2143 (rough estimate)
굴절률: 1.4447 · 1.4447 (estimate)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 4.25 · 4.25±0.10(Predicted)
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange
수용성: 43.5 g/L · 43.5g/L(100 ºC)
BRN: 1936497 · 1936497

화학적 성질

white to slightly beige powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (94.2%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (94.2%)

안전 데이터

wgk: 1
HS 번호: 29182990
risk_code: 36/37/38
hazard_code: Xi,C
safety_code: 26-36-37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도Methyl Hydroxybenzoic Acid is also used in the preparation of a potent tie-2 kinase inhibitor in the inhibition of angiogenesis and tumor suppression. Used in the preparation of inhibitors of phosphatine kinases.