1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one

HCID 592139

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10139-84-1
표준 SMILES: CC(=O)c1ccc(O)c(C)c1O
InChIKey: KMTLZBUHQPQFAV-UHFFFAOYSA-N
분자식: C9H10O3
평균 분자량: 166.17 g/mol
단동위원소 질량: 166.06299418

이름 및 식별자

우선 이름: 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one
IUPAC: 1-(2,4-dihydroxy-3-methylphenyl)ethanone
영어명: 2',4'-DIHYDROXY-3'-METHYLACETOPHENONE
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-oneRefChem:420497625-400-810139-84-11-(2,4-Dihydroxy-3-methylphenyl)ethanone2',4'-Dihydroxy-3'-methylacetophenoneethanone, 1-(2,4-dihydroxy-3-methylphenyl)-4-Acetyl-2-methylresorcinolMFCD000108173-Methylresacetophenone2,4-dihydroxy-3-methylacetophenone1-(2,4-dihydroxy-3-methyl-phenyl)ethanone

이름 더 보기

CH3C6H2(OH)2COCH32',4'-DIHYDROXY-3'-M2',4'-Dihydroxy-3'-methyL2-Methyl-122-nitrobenzyl&chloride,4'-DIHYDROXY-3'-METHYLACETOPHENONE2,6-dihydroxy-4-methylphenylethanone3'-Methyl-2',4'-dihydroxyacetophenone

SCHEMBL334851orb3030049SCHEMBL29457560DTXSID90343776Fr14419STL185638AKOS004903507AC-5769

데이터베이스 식별자

CAS: 10139-84-1
PubChem CID: 592139
DTXSID: DTXSID90343776
EC Number: 625-400-8
Nikkaji: J410.625C

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 179

물리화학적 성질

녹는점: 150 · 150-154 °C
끓는 점: 254.38 °C · 254.38°C (rough estimate)
밀도: 1.1708 · 1.1708 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 8.32 · 8.32±0.23(Predicted)

화학적 성질

orange-brown powder

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 44 reports by companies from 4 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
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26

화학 및 산업

응용 분야

용도chemo selective benzylation of 2,4-dihydroxy-3-methylacetophenone gave the 4-benzyloxy derivative. 4- Ethyl-6 methyl resorcinol was prepared by Clemmensen reduction of 4-dihydroxy-3- methylacetophenone.