메틸(2-)티오펜

2-Methylthiophene

HCID 11126CAS 25154-40-9
부분 구조 검색유사 구조 찾기

기본 정보

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 물성

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

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesSchoenflies notation
LogP · 2건

2.33

2.33

Flavoring AgentsEU Flavoring substances
Solubility112.6 mg/L @ 25 °C (exp)
Boiling Point112.00 °C. @ 760.00 mm Hg

물리화학적 성질

녹는점
-63 °C · -63 °C (lit.)
끓는 점
113 °C · 113 °C (lit.)
밀도
1.014 g/mL · 1.014 g/mL at 25 °C (lit.)
증기압
47.6 mm · 47.6 mm Hg ( 37.7 °C)
굴절률
20 · n20/D 1.52(lit.)
인화점
45 °F · 45 °F

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 3건

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
ridadr
UN 1993 3/PG 2
HS 번호
29349990
risk_code
11-22-36/37/38-37-2017/11/22

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

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

관련 반응

50건
반응 기록 만들기

연결된 노트

불러오는 중…