2'-하이드록시-4'-메틸아세토페논

2'-Hydroxy-4'-methylacetophenone

HCID 81338CAS 6921-64-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc(C)cc1O
InChIKey: LYKDOWJROLHYOT-UHFFFAOYSA-N
분자식: C9H10O2
평균 분자량: 150.17 g/mol
단동위원소 질량: 150.06807956

이름 및 식별자

우선 이름: 2'-Hydroxy-4'-methylacetophenone
IUPAC: 1-(2-hydroxy-4-methylphenyl)ethanone
현지명: 2'-하이드록시-4'-메틸아세토페논
영어명: 2'-Hydroxy-4'-methylacetophenone
분자식: C9H10O2
분자량: 150.17

이름 및 동의어

6921-64-81-(2-hydroxy-4-methylphenyl)ethanone2'-Hydroxy-4'-methylacetophenone1-(2-Hydroxy-4-methylphenyl)ethan-1-oneEthanone, 1-(2-hydroxy-4-methylphenyl)-MFCD001005591-(2-Hydroxy-4-methyl-phenyl)-ethanoneQ168P7RG3B1-acetyl-2-hydroxy-4-methylbenzene4-methyl-2-hydroxyacetophenoneUNII-Q168P7RG3BEINECS 230-040-6

이름 더 보기

2'-하이드록시-4'-메틸아세토페논ASISCHEM D387582'-Hydroxyacetopenone2-Hydroxy-4-MethylacetophenoneMercaptobenzimidazole zinc salt2''-Hydroxy-4''-methylacetophenone1-(2-hydroxy-4-methylphenyl)-ethanon

AI3-28646SCHEMBL760290BP 3orb1219549orb13110492-ACETYL-5-METHYLPHENOLCHEMBL1240948DTXSID4064503

데이터베이스 식별자

CAS: 6921-64-8
PubChem CID: 81338
DTXSID: DTXSID4064503
ChEMBL: CHEMBL1240948
UNII: Q168P7RG3B
EC Number: 230-040-6
Nikkaji: J265.960C

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: 11
형식 전하: 0
복잡도: 154

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 21 °C · 21°C
끓는 점: 245 °C · 245 °C(lit.)
밀도: 1.08 g/mL · 1.08 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.565(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 10.27 · 10.27±0.10(Predicted)
색상: Colorless to Light orange to Yellow
InChI: InChI=1S/C9H10O2/c1-6-3-4-8(7(2)10)9(11)5-6/h3-5,11H,1-2H3
InChIKey: LYKDOWJROLHYOT-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(C)C=C1O)C
EPA: 1 · Ethanone, 1-(2-hydroxy-4-methylphenyl)- (6921-64-8)

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 41 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
tsca: TSCA listed
HS 번호: 2914500090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1-(2-hydroxy-4-methylphenyl)-: INACTIVE

응용 분야 · 1건

일반 설명2′-Hydroxy-4′-methylacetophenone, also known as 1-(2-hydroxy-4-methylphenyl)ethanone can be synthesized by the Fries rearrangement of m-tolyl acetate in the presence of zirconium tetrachloride. The results from the toxicity studies on mite species suggest that 2′-hydroxy-4′-methylacetophenone possesses acaricidal property.