기본 정보
- CAS
118-72-9- 표준 SMILES
Cc1cccc(C)c1S- InChIKey
QCLJODDRBGKIRW-UHFFFAOYSA-N- 분자식
- C8H10S
- 평균 분자량
- 138.23 g/mol
- 단동위원소 질량
- 138.05032132
개요
2,6-Dimethylbenzenethiol is a thiol.
이름 및 식별자
- 우선 이름
- 2,6-Dimethylthiophenol
- IUPAC
- 2,6-dimethylbenzenethiol
- 영어명
- 2,6-Dimethylthiophenol
- 분자식
- C8H10S
- 분자량
- 138.23
이름 및 동의어
2,6-Dimethylthiophenol2,6-Dimethylbenzenethiol118-72-92,6-dimethyl thiophenolBENZENETHIOL, 2,6-DIMETHYL-2,6-Xylenethiol2,6-Xylyl mercaptan2,6-dimethylbenzene-1-thiol2,6-DimethylphenylthiolFEMA No. 3666EINECS 204-272-33A223G78P4
이름 더 보기
FEMA 36662,6-Thioxylenol2,6-DIMETHYLTHIOPHEN2,6-DIMETHYL PHENTHIOL2,6-Dimethylbenzolthiol2,6-dimethyl-benzenethioDIMETHYLTHIOPHENOL, 2,6-
DTXSID80594772,6-DIMETHYLTHIOPHENOL [FHFI]RefChem:445763DTXCID8033437204-272-32,6-Dimethyl-benzenethiolMFCD00010021UNII-3A223G78P4
데이터베이스 식별자
- CAS
118-72-9- PubChem CID
- 61045
- DTXSID
DTXSID8059477- ChEMBL
CHEMBL321211- ChEBI
CHEBI:230256- UNII
- 3A223G78P4
- EC Number
- 204-272-3
- Nikkaji
- J155.603G
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 80.6
실험 및 물리화학적 성질
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP
3.150
4.02
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubilityslightly
Boiling Point122.00 °C. @ 50.00 mm Hg
물리화학적 성질
- 녹는점
- -30 °C · -30°C (estimate)
- 끓는 점
- 122 °C50 · 122 °C50 mm Hg
- 밀도
- 1.038 g/mL · 1.038 g/mL at 25 °C
- 굴절률
- 20 · n20/D 1.575
- FEMA
- 3666 · 3666 | 2,6-DIMETHYLTHIOPHENOL
- 인화점
- 186 °F · 186 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 7.03 · 7.03±0.50(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 1448 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenethiol, 2,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenethiol, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3334
- HS 번호
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36-7/9
- 위험 등급
- 6.1
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
General Manufacturing InformationBenzenethiol, 2,6-dimethyl-: ACTIVE
응용 분야
출처Reported found in boiled beef
용도2,6-Dimethylbenzenethiol was used in the synthesis of (2,6-Me2C6H3S)2Pb by reacting with Pb(OAc)2.
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
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