2,6-디메틸히드로퀴논

2,6-Dimethylhydroquinone

HCID 69560CAS 654-42-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(O)cc(C)c1O
InChIKey: SGWZVZZVXOJRAQ-UHFFFAOYSA-N
분자식: C8H10O2
평균 분자량: 138.16 g/mol
단동위원소 질량: 138.06807956

개요

2,6-Dimethyl-1,4-benzenediol is a member of hydroquinones.

이름 및 식별자

우선 이름: 2,6-Dimethylhydroquinone
IUPAC: 2,6-dimethylbenzene-1,4-diol
현지명: 2,6-디메틸히드로퀴논
영어명: 2,6-Dimethylhydroquinone
분자식: C8H10O2
분자량: 138.16

이름 및 동의어

2,6-Dimethylhydroquinone654-42-22,6-dimethylbenzene-1,4-diolm-Xylohydroquinonem-Xhq1,4-Benzenediol, 2,6-dimethyl-m-Xylene-2,5-diol2,6-Xyloquinol3,5-Dimethylhydroquinone2,6-Dimethyl-p-benzohydroquinoneHydroquinone, 2,6-dimethyl-20F4R79OM2

이름 더 보기

2,6-디메틸히드로퀴논mxhq3-XYLOHYDROQUINONE

NSC-36868DTXSID8060957RefChem:83324DTXCID5044603211-505-2DMHQ2,6-Dimethyl-1,4-benzenediol2,6-Xylohydroquinone

데이터베이스 식별자

CAS: 654-42-2
PubChem CID: 69560
DTXSID: DTXSID8060957
ChEMBL: CHEMBL4205770
ChEBI: CHEBI:179263
UNII: 20F4R79OM2
EC Number: 211-505-2
Nikkaji: J66.259C

물성

구조 계산 물성

XLogP: 1
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 102

실험 및 물리화학적 성질

LogP1.00

Melting Point149 - 151 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 154 °C · 154°C
끓는 점: 193.57 °C · 193.57°C (rough estimate)
밀도: 1.034 · 1.0340 (rough estimate)
굴절률: 1.4698 · 1.4698 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 10.92 · 10.92±0.23(Predicted)
색상: White to Light yellow to Light red
InChI: InChI=1S/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3
InChIKey: SGWZVZZVXOJRAQ-UHFFFAOYSA-N
SMILES: C1(O)=C(C)C=C(O)C=C1C
EPA: 1 · 1,4-Benzenediol, 2,6-dimethyl- (654-42-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.