기본 정보
- CAS
65505-17-1- 표준 SMILES
CSSc1ccoc1C- InChIKey
SRUTWBWLFKSTIS-UHFFFAOYSA-N- 분자식
- C6H8OS2
- 평균 분자량
- 160.3 g/mol
- 단동위원소 질량
- 160.00165722
개요
2-methyl-3-methyldithiofuran is a metabolite found in or produced by Saccharomyces cerevisiae.
이름 및 식별자
- 우선 이름
- Methyl 2-methyl-3-furyl disulfide
- IUPAC
- 2-methyl-3-(methyldisulfanyl)furan
- 영어명
- Methyl 2-methyl-3-furyl disulfide
- 분자식
- C6H8OS2
- 분자량
- 160.26
이름 및 동의어
Methyl 2-methyl-3-furyl disulfide2-Methyl-3-(methyldithio)furan2-methyl-3-(methyldisulfanyl)furanFuran, 2-methyl-3-(methyldithio)-FEMA No. 3573DISULFIDE, 2-METHYL-3-FURYL METHYLDTXSID9047704UNII-EG1VSC778GEINECS 265-797-1EG1VSC778GDTXCID7027702METHYL OXYCYCLOSULFIDE 719
이름 더 보기
FEMA 3573Nitrofurantoin Impurity 212-Methyl-3-(dimercaptomethyl)-2-methyl-3-(methyldithio)-fura2-Methyl-[3-methyldithio]-furanedisulfide,2-methyl-3-furylmethylFuran, 2-methyl-3-(methyldithio)Methyl2-mehtyl-3-furyl disulfideMETHYL-2-METHYL-3-FURYLDISULPHIDE
METHYL 2-METHYL-3-FURYL DISULPHIDEMETHYL 2-METHYL-3-FURYL DISULFIDE [FHFI]RefChem:1573582-METHYL-3-FURYL METHYL DISULFIDESRUTWBWLFKSTIS-UHFFFAOYSA-N65505-17-1MFCD000386432-Methyl-3-(methyldithio)-furan
데이터베이스 식별자
- CAS
65505-17-1- PubChem CID
- 47649
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 63.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 87.1
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.203-1.208
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water,soluble in organic solvents,oils
Miscible at room temperature (in ethanol)
Boiling Point
213.00 to 217.00 °C. @ 760.00 mm Hg
72.5-75 °C (5.5 mm Hg)
Refractive Index1.558-1.563
Physical DescriptionLiquid; roast meat aroma
물리화학적 성질
- 끓는 점
- 210 °C · 210 °C(lit.)
- 밀도
- 1.163 g/mL · 1.163 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.5600(lit.)
- FEMA
- 3573 · 3573 | METHYL 2-METHYL-3-FURYL DISULFIDE
- 인화점
- 184 °F · 184 °F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1592 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Furan, 2-methyl-3-(methyldithio)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2-methyl-3-(methyldithio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- rtecs
- JO1975000
- ridadr
- UN 2810 6.1/PG 3
- HS 번호
- 29321900
- risk_code
- 25-36/38
- hazard_code
- T
- safety_code
- 28-36/37/39-45-37/39-26
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
개요Methyl 2-methyl-3-furyl disulfide has a roast meat odor.
출처Reported found in hydrogenated vegetable oil and coffee.
일반 설명Natural occurrence: Cooked beef and tea.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
梯希爱(上海)化成工业发展有限公司
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