메틸히드로퀴논
Methylhydroquinone
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기본 정보
- CAS
95-71-6- 표준 SMILES
Cc1cc(O)ccc1O- InChIKey
CNHDIAIOKMXOLK-UHFFFAOYSA-N- 분자식
- C7H8O2
- 평균 분자량
- 124.14 g/mol
- 단동위원소 질량
- 124.0524295
개요
Toluquinol is a member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group. It has a role as an angiogenesis inhibitor, an anti-inflammatory agent and a Penicillium metabolite.
이름 및 식별자
- 우선 이름
- Methylhydroquinone
- IUPAC
- 2-methylbenzene-1,4-diol
- 현지명
- 메틸히드로퀴논
- 영어명
- 2-Methylhydroquinone
- 분자식
- C7H8O2
- 분자량
- 124.14
이름 및 동의어
Methylhydroquinone95-71-62-Methylhydroquinone2-methylbenzene-1,4-diol2,5-DihydroxytolueneToluhydroquinonep-ToluhydroquinoneToluquinolp-Toluquinolp-ToluhydroquinolTolylhydroquinone2,5-Toluenediol
이름 더 보기
메틸히드로퀴논메틸하이드로퀴논2-메틸하이드로퀴논THQ
2-Methyl-1,4-benzenediol1,4-Benzenediol, 2-methyl-1,4-Dihydroxy-2-methylbenzene2-Methyl-1,4-hydroquinoneDTXSID4020876332W51E0OCNSC-4962DTXCID00876
데이터베이스 식별자
- CAS
95-71-6- PubChem CID
- 7253
- DTXSID
DTXSID4020876- ChEMBL
CHEMBL450917- ChEBI
CHEBI:133842- UNII
- 332W51E0OC
- EC Number
- 202-443-7
- Nikkaji
- J4.712K
물성
구조 계산 물성보충 중
- XLogP
- 1
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 92.9
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Phenols
Vapor Pressure0.0028 [mmHg]
Physical Description
Dry Powder
Off-white solid with a slight odor; [Eastman Chemical MSDS]
물리화학적 성질
- 녹는점
- 128 · 128-130 °C(lit.)
- 끓는 점
- 285 °C · 285°C
- 밀도
- 1.1006 · 1.1006 (rough estimate)
- 증기압
- 0.004 Pa · 0.004Pa at 25℃
- 굴절률
- 1.4922 · 1.4922 (estimate)
- 인화점
- 172 °C · 172 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 77 g/L · 77g/L
- 산도 계수 (pKa)
- 1 · pK1:10.03;pK2:11.62 (25°C)
- 물리적 상태
- 결정성 분말
- 색상
- 회백색에서 밝은 베이지색까지
- 수용성
- 77 g/L · 77g/L(25℃)
- BRN
- 2041489 · 2041489
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.1% (5 of 467) of reports.
Danger
H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 467 reports by companies from 28 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,4-Benzenediol, 2-methyl-
1,4-Benzenediol, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenediol, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 05-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27614
Methylhydroquinone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and eye irritant; Dust causes eye and respiratory tract irritation; Harmful by ingestion; [Eastman Chemical MSDS] See Hydroquinone.
Hazard Classes and CategoriesAcute Tox. 4 (94%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MX6700000
- ridadr
- 2811
- 독성
- LD50 orally in Rabbit: 200 - 400 mg/kg
화학 및 산업
용도 및 제조
UsesUsed as an inhibitor; [Eastman Chemical MSDS]
U.S. Production2023: 22,046 lb
Industry UsesCorrosion inhibitor
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1,4-Benzenediol, 2-methyl-: ACTIVE
응용 분야
용도Antioxidant, polymerization inhibitor.
일반 설명Methylhydroquinone is produced by the oxidation of o-cresol by the mutants G103S, G103S/A107G, and G103S/A107T.
상·하류 제품 정보
하류 제품
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