기본 정보
- CAS
2882-20-4- 표준 SMILES
CSc1nccnc1C- InChIKey
PPPFFGVGWFKTHX-UHFFFAOYSA-N- 분자식
- C6H8N2S
- 평균 분자량
- 140.21 g/mol
- 단동위원소 질량
- 140.04081926
개요
2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers) is an aryl sulfide.
이름 및 식별자
- 우선 이름
- Pyrazine, methyl(methylthio)-
- IUPAC
- 2-methyl-3-methylsulfanylpyrazine
- 영어명
- 2-Methylthio-3,5-methylpyrazine
- 분자식
- C7H10N2S
- 분자량
- 154.23
이름 및 동의어
Methyl(methylthio)pyrazineFEMA No. 3208RefChem:1097201OTV9F5B18P2-Methyl-3(or 5 or 6)-methylthiopyrazine267-918-3Pyrazine, 2-methyl-3-(methylthio)-, mixt. with 2-methyl-5-(methylthio)pyrazine and 2-methyl-6-(methylthio)pyrazine67952-65-2Pyrazine, methyl(methylthio)-2-Methyl-3-(methylthio)pyrazine2882-20-42-Methylthio-3-methylpyrazine
이름 더 보기
FEMA 3208somer mixturemethyl(methylthio)-pyrazin2-Methylthio-3,5-methylpyrazine2-Methylthio-3(6)-methyl-pyrazine3,5-Dimethyl-2-(methylthio)pyrazine2-Methyl-3(or5or6)-methylthiopyrazine(METHYLTHIO)METHYLPYRAZINE 98+% MIXTU&2-Methylthio-3 (or 5 or 6)-Methylpyrazine
Pyrazine, 2-methyl-3-(methylthio)-2-Methyl-3-methylsulfanyl-pyrazine2-methyl-3-methylsulfanylpyrazine3-Methyl-2-methylthiopyrazine2-Methyl-3-methylmercaptopyrazine2-Methylmercapto-3-methylpyrazineMFCD00014610Pyrazine, 2-methyl-3(or 5)-(methylthio)-
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 51.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 87.1
실험 및 물리화학적 성질
Fragrances
Fragrance Ingredient (Pyrazine, 2-methyl-3-(methylthio)-) -> IFRA transparency List
Fragrance Ingredient (Pyrazine, methyl (methylthio)-) -> IFRA transparency List
LogP1.81
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring Agents
EU Flavoring substances
EU Flavoring substances
물리화학적 성질
- 밀도
- 1.145 g/mL · 1.145 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.583(lit.)
- FEMA
- 3208 · 3208 | (METHYLTHIO)METHYLPYRAZINE (MIXTURE OF ISOMERS)
- 인화점
- 193 °F · 193 °F
- 냄새
- 0.1 % · 디프로필렌 글리콜 중 0.10%. 고소한 흙맛 땅콩 곰팡내 나는 커피 야채
- 냄새 유형
- 견과류
- 생물학적 소스
- synthetic
- JECFA Number
- 797 · 797
- 주요 응용
- 향료 및 향
- InChI
- 1S/2C6H8N2S/c1-5-3-8-6(9-2)4-7-5;1-5-6(9-2)8-4-3-7-5/h2*3-4H,1-2H3
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 15.1% (237 of 1565) of reports.
Warning
H226 (82.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1565 reports by companies from 6 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 97.5% (1522 of 1561) of all reports.
유해성 정보
Regulatory Information
Chemical: Pyrazine, 2-methyl-3-(methylthio)-
Chemical: Pyrazine, methyl(methylthio)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2-methyl-3-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Pyrazine, methyl(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pyrazine, 2-methyl-3-(methylthio)-: Environment tier I assessment
Hazard Classes and Categories
Not Classified
Flam. Liq. 3 (82.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Fragrance Ingredients
General Manufacturing Information
Pyrazine, 2-methyl-3-(methylthio)-: ACTIVE
Pyrazine, methyl(methylthio)-: ACTIVE
Pyrazine, 2-methyl-3(or 5)-(methylthio)-: ACTIVE
응용 분야
개요2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers) is like roasted almonds, hazelnuts. This may be prepared from 2-methylchloropyrazine; a mixture of 2-methyl-3-methylthiopyrazine, 2-methyl-5-methylthiopyrazine, and 2-methyl-6-methylthiopyrazine is obtained.
제조 방법
From 2-methylchloropyrazine; a mixture of 2-methyl-3-methylthiopyrazine, 2-methyl-5-methylthiopyrazine, and 2-methyl-6-methylthiopyrazine is obtained.
상·하류 제품 정보
하류 제품
공급사100 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]
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