기본 정보
- CAS
34047-39-7- 표준 SMILES
CSCCC(C)=O- InChIKey
DRGHCRKOWMAZAO-UHFFFAOYSA-N- 분자식
- C5H10OS
- 평균 분자량
- 118.2 g/mol
- 단동위원소 질량
- 118.04523611
개요
4-(Methylthio)-2-butanone is a ketone.
이름 및 식별자
- 우선 이름
- 4-(Methylthio)-2-butanone
- IUPAC
- 4-methylsulfanylbutan-2-one
- 영어명
- 4-Methylthio-2-butanone
- 분자식
- C5H10OS
- 분자량
- 118.2
이름 및 동의어
4-(Methylthio)-2-butanone2-Butanone, 4-(methylthio)-4-(methylsulfanyl)butan-2-one4-methylsulfanylbutan-2-one4-(Methylthio)butan-2-onepotato butanoneUNII-5703W1O1ABFEMA No. 33755703W1O1ABEINECS 251-810-8FEMA 3375DTXSID4067808
이름 더 보기
251-810-85-Thiahexane-2-one4-(methylthio)-2-butanon1-(Methylthio)-3-butanone4-methylthioyl-2-butylone4-Methylthio-2-butanone>
4-(Methylthio)-2-butanone, 8CIRefChem:975054-(Methylsulphanyl)butan-2-oneDTXCID7038783DRGHCRKOWMAZAO-UHFFFAOYSA-NPNJBGQMNUMZADU-UHFFFAOYSA-N4-Methylthio-2-butanone34047-39-7
데이터베이스 식별자
- CAS
34047-39-7- PubChem CID
- 61922
- DTXSID
DTXSID4067808- ChEBI
CHEBI:173440- UNII
- 5703W1O1AB
- EC Number
- 251-810-8
- Nikkaji
- J287.853D
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 42.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 61.1
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.000-1.007
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
(in ethanol)
Boiling Point
105.00 to 107.00 °C. @ 55.00 mm Hg
106 °C (55 mm Hg); 77-78 °C (20 mm Hg)
Refractive Index1.470-1.481
Physical Descriptionsweet, sulfurous, fruity flavor like arrowhead
물리화학적 성질
- 끓는 점
- 105 · 105-107 °C/55 mmHg (lit.)
- 밀도
- 1.003 g/mL · 1.003 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.473(lit.)
- FEMA
- 3375 · 3375 | 4-(METHYLTHIO)-2-BUTANONE
- 인화점
- 162 °F · 162 °F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1402 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Butanone, 4-(methylthio)-
2-Butanone, 4-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (91.7%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1224
- HS 번호
- 29309090
- risk_code
- 10
- safety_code
- 16-24/25
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Butanone, 4-(methylthio)-: ACTIVE
응용 분야
개요4-(Methylthio)-2-butanone has a flavor like arrowhead. It is sweet, sulfurous, and fruity. May be prepared from methylvinyl ketone and methylmercaptan; from methylvinyl ketone and methyl-Ws (methy lthio)aluminum.
출처Reported found in kohlrabi.
제조 방법
From methylvinyl ketone and methylmercaptan; from methylvinyl ketone and methyl-bis (methylthio)aluminum.
상·하류 제품 정보
상류 원료
관련 반응
2건
화합물 노트
불러오는 중…