기본 정보
- CAS
1878-18-8- 표준 SMILES
CCC(C)CS- InChIKey
WGQKBCSACFQGQY-UHFFFAOYSA-N- 분자식
- C5H12S
- 평균 분자량
- 104.22 g/mol
- 단동위원소 질량
- 104.06597138
개요
2-Methyl-1-butanethiol is an alkanethiol.
이름 및 식별자
- 우선 이름
- 2-Methyl-1-butanethiol
- IUPAC
- 2-methylbutane-1-thiol
- 영어명
- 2-Methyl-1-butanethiol
- 분자식
- C5H12S
- 분자량
- 104.21
이름 및 동의어
2-Methyl-1-butanethiol1878-18-82-Methylbutane-1-thiol1-Butanethiol, 2-methyl-FEMA No. 33032-methyl-1-butane thiol1-mercapto-2-methylbutane8ZRO873BR6EINECS 217-515-3DTXSID508627712-METHYL-1-BUTANETHIOL [FHFI]RefChem:474898
이름 더 보기
FEMA 3303T-AMYLMERCAPTANCH3CH2CH(CH3)CH2SH2-methyl-1-butanethio2-methyl-butane-1-thiol
DTXCID60811492(+-)-2-METHYL-1-BUTANETHIOL217-515-32-Methylbutyl mercaptanMFCD000048832-MethylbutanethiolUNII-8ZRO873BR62-methyl-butanethiol
데이터베이스 식별자
- CAS
1878-18-8- PubChem CID
- 15877
- DTXSID
DTXSID50862771- ChEBI
CHEBI:173326- UNII
- 8ZRO873BR6
- EC Number
- 217-515-3
- Nikkaji
- J44.080I
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 27.1
실험 및 물리화학적 성질
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.842-0.847
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
116.00 to 118.00 °C. @ 760.00 mm Hg
116-118 °C
Refractive Index1.439-1.449
Physical Descriptioncolourless liquid with disagreeable odour
물리화학적 성질
- 녹는점
- -109.95 °C · -109.95°C (estimate)
- 끓는 점
- 116 · 116-117 °C(lit.)
- 밀도
- 0.848 g/mL · 0.848 g/mL at 25 °C(lit.)
- 증기압
- 41.4 mm · 41.4 mm Hg ( 37.7 °C)
- 굴절률
- 20 · n20/D 1.447(lit.)
- FEMA
- 3303 · 3303 | 2-METHYL-1-BUTANETHIOL
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (11.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1446 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: 1-Butanethiol, 2-methyl-
1-Butanethiol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (11.1%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1111 3/PG 2
- HS 번호
- 29309090
- risk_code
- 11-36/37/38-20/21/22
- hazard_code
- F,Xi,Xn
- safety_code
- 16-26-33-36/37/39
- 포장분류
- II
- 위험 등급
- 3
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1-Butanethiol, 2-methyl-: ACTIVE
응용 분야
개요Prepared from 2-methyl-1-butyl isothiourea picrate by conversion to bis [(s)-2-methylbutyl] disulfide, followed by reduction to the corresponding thiol, using sodium metal in liquid ammonia.
출처Reported as occurring in the petroleum fraction boiling between 111 and 150°C; also in cooked beef.
용도2-Methyl-1-butanethiol is a thiol with antiinflammatory properties.
제조 방법
From 2-methyl-1-butyl isothiourea picrate by conversion to bis [(s)-2-methylbutyl] disulfide, followed by reduction to the corresponding thiol, using sodium metal in liquid ammonia.
상·하류 제품 정보
상류 원료
공급사90 곳
관련 반응
4건
화합물 노트
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