메틸(2-)티오펜
2-Methylthiophene
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기본 정보
- CAS
25154-40-9- 표준 SMILES
Cc1cccs1- InChIKey
XQQBUAPQHNYYRS-UHFFFAOYSA-N- 분자식
- C5H6S
- 평균 분자량
- 98.17 g/mol
- 단동위원소 질량
- 98.01902119
개요
2-methylthiophene is a member of the class of thiophenes that is thiophene in which the hydrogen atom at position 2 is substituted by a methyl group. It has a role as a flavouring agent and a Maillard reaction product. It is a volatile organic compound and a member of thiophenes. It is functionally related to a thiophene.
이름 및 식별자
- 우선 이름
- 2-Methylthiophene
- IUPAC
- 2-methylthiophene
- 현지명
- 메틸(2-)티오펜
- 영어명
- 2-Methylthiophene
- 분자식
- C5H6S
- 분자량
- 98.17
이름 및 동의어
2-METHYLTHIOPHENE554-14-3Thiophene, 2-methyl-alpha-MethylthiopheneCCRIS 29362-Methylthiacyclopentadiene2-thiotolene2-methylthiophenEINECS 209-063-0BRN 0103734AI3-159117115JAP77A
이름 더 보기
2-메틸싸이오펜메틸(2-)티오펜methylthiol2-Methylthiophene CAS NO.554-14-32-methylthiacyclopentadiene (2-methylthiophene)2MTα-Thiotolene2-methyl-thiophen5-Methylthiophene
.ALPHA.-METHYLTHIOPHENEDTXSID3060291FEMA NO. 4928CHEBI:141567alphaMethylthiopheneThiophene, 2methylRefChem:476298DTXCID7041883
데이터베이스 식별자
- CAS
25154-40-9、554-14-3- PubChem CID
- 11126
- DTXSID
DTXSID3060291- ChEBI
CHEBI:141567- UNII
- 7115JAP77A
- EC Number
- 209-063-0
- Nikkaji
- J2.203.198H、J6.459I
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 28.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 43.2
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesSchoenflies notation
LogP
2.33
2.33
Flavoring AgentsEU Flavoring substances
Solubility112.6 mg/L @ 25 °C (exp)
Boiling Point112.00 °C. @ 760.00 mm Hg
Melting Point-63.4 °C
Vapor Pressure24.9 [mmHg]
Physical Description
Clear colorless liquid; [Sigma-Aldrich MSDS]
Liquid
물리화학적 성질
- 녹는점
- -63 °C · -63 °C (lit.)
- 끓는 점
- 113 °C · 113 °C (lit.)
- 밀도
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 0.8% (11 of 1456) of reports.
Danger
H225 (10.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1456 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Thiophene, 2-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Methylthiophene: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (10.8%)
독성 정보
Toxicity DataLC50 (mouse) = 11,500 mg/m3/2hr
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XM9625000
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesFlavoring agent that naturally occurs in grilled and roasted beef, papaya, cooked shrimp, whiskey, and in trace amounts in roasted chicken; [ExPub: EFSA]
General Manufacturing InformationThiophene, 2-methyl-: ACTIVE
응용 분야
용도2-Methylthiophene, is used as a flavoring agent that naturally occurs in grilled and roasted beef, papaya, cooked shrimp, whiskey, and in trace amounts in roasted chicken;
제조 방법
생산 방법2-Methylthiophene is commercially produced to 98 wt% purity by VP cyclization.
상·하류 제품 정보
상류 원료
하류 제품
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