2-하이드록시-3-메틸벤잘데하이드

3-Methylsalicylaldehyde

HCID 522777CAS 824-42-0

기본 정보

표준 SMILES: Cc1cccc(C=O)c1O
InChIKey: IPPQNXSAJZOTJZ-UHFFFAOYSA-N
분자식: C8H8O2
평균 분자량: 136.15 g/mol
단동위원소 질량: 136.0524295

개요

3-methylsalicylaldehyde is a member of the class of benzaldehydes that is salicylaldehyde in which the hydrogen ortho- to the hydroxy group is substituted by a methyl group. It is a member of benzaldehydes and a member of phenols. It is functionally related to a salicylaldehyde.

이름 및 식별자

우선 이름: 3-Methylsalicylaldehyde
IUPAC: 2-hydroxy-3-methylbenzaldehyde
현지명: 2-하이드록시-3-메틸벤잘데하이드
영어명: 2-Hydroxy-3-methylbenzaldehyde
분자식: C8H8O2
분자량: 136.15

이름 및 동의어

2-Hydroxy-3-methylbenzaldehyde3-Methylsalicylaldehyde824-42-03-methyl-2-hydroxybenzaldehyde3-methylsalicylic aldehydeCHEBI:20110DTXSID40335060RefChem:504356DTXCID40286149628-580-62-hydroxy-3-methyl-benzaldehyde2,3-Cresotaldehyde

이름 더 보기

2-하이드록시-3-메틸벤잘데하이드Methylate 153-Methylsalicylaldehyde>2-Hydroxy-3-methylbenzaldehyde2-Hydroxy-3-Methylbenzaldehyde 98%2-hydroxy-3-methylbenzenemethylaldehyde2,3-Cresotaldehyde, 2-Hydroxy-3-methylbenzaldehyde2,3-Cresotaldehyde, 2-Hydroxy-3-methylbenzaldehyde, 3-Methylsalicylaldehyde

MFCD00040798Benzaldehyde, 2-hydroxy-3-methyl-2-Hydroxy-3-methyl benzaldehydeBenzaldehyde, hydroxy-3-methyl-2,3-Cresotaldehyde (6CI,7CI,8CI); 2-Hydroxy-3-methylbenzaldehyde; 2-Hydroxy-m-tolualdehyde; 3-Methyl-2-hydroxybenzaldehyde; 3-Methylsalicylaldehyde; o-Homosalicylaldehydeo-Homosalicylaldehyde2-Hydroxy-m-tolualdehydebmse000843

데이터베이스 식별자

CAS: 824-42-0
PubChem CID: 522777
DTXSID: DTXSID40335060
ChEBI: CHEBI:20110
UNII: A3XGR23KX3
EC Number: 628-580-6
Nikkaji: J526.376J

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 122

물리화학적 성질

녹는점: 17 °C · 17°C(lit.)
끓는 점: 204 °C/730 · 204 °C/730 mmHg (lit.)
밀도: 1.123 g/mL · 1.123 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.564(lit.)
인화점: 190 °F · 190 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 8.52 · 8.52±0.10(Predicted)
색상: 투명한 연한 노란색에서 주황색까지
BRN: 1099377 · 1099377
InChI: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3
InChIKey: IPPQNXSAJZOTJZ-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=CC(C)=C1O

화학적 성질

Clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
HS 번호: 29124990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2-Hydroxy-3-methylbenzaldehyde could be a useful antitumor and antiproliferative agent.

상·하류 제품 정보

하류 제품

7-메틸(1H)인다졸 2-(5-chloro-1H-1,3-benzodiazol-2-yl)-6-methylphenol 5-클로로메틸-2-하이드록시-3-메틸-벤잘데하이드 아세토니트릴,(2-포르밀-6-메틸페녹시)-(9CI)Ethyl 8-methyl-2-oxo-2H-chromene-3-carboxylate 에틸2,8-디메틸-4-옥소-4H-크로멘-3-카르복실레이트 5-BROMO-2-HYDROXY-3-메틸-벤조니트릴 2-Hydroxy-3-methyl-5-nitro-benzaldehyde 4-Methoxy-5-methyl-2,3-dihydro-1H-inden-1-one

공급사50 곳

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]

上海策嵘生物科技有限公司[email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

추가 설명

정의ChEBI: A member of the class of benzaldehydes that is salicylaldehyde in which the hydrogen ortho- to the hydroxy group is substituted by a methyl group.