기본 정보
- CAS
23787-80-6- 표준 SMILES
CC(=O)c1nccnc1C- InChIKey
QUNOTZOHYZZWKQ-UHFFFAOYSA-N- 분자식
- C7H8N2O
- 평균 분자량
- 136.15 g/mol
- 단동위원소 질량
- 136.06366288
개요
2-Acetyl-3-methylpyrazine is an aromatic ketone.
이름 및 식별자
- 우선 이름
- 2-Acetyl-3-methylpyrazine
- IUPAC
- 1-(3-methylpyrazin-2-yl)ethanone
- 현지명
- 2-아세틸-3-메틸피라진
- 영어명
- 2-Acetyl-3-methylpyrazine
- 분자식
- C7H8N2O
- 분자량
- 136.15
이름 및 동의어
2-ACETYL-3-METHYLPYRAZINE1-(3-methylpyrazin-2-yl)ethanone1-(3-methylpyrazin-2-yl)ethan-1-oneEthanone, 1-(3-methylpyrazinyl)-2-Methyl-3-acetylpyrazine1-(3-Methylpyrazinyl)ethan-1-one3-Acetyl-2-methylpyrazineUNII-7U5TEW2Y2B7U5TEW2Y2BPyrazine, 2-acetyl-3-methylPyrazine, 3-acetyl-2-methylEthanone, 1-(3-methyl-2-pyrazinyl)-
이름 더 보기
2-아세틸-3-메틸피라진2-아세틸-3-메틸피라진(2-ACETYL-3-METHYLPYRAZINE)FEMA 3964FEMA NUMBER 39642-Acetyl-3-methylTIMTEC-BB SBB005785ACETYL METHYLPYRAZINE
1-(3-Methyl-2-pyrazinyl)ethanoneEINECS 245-889-81-[3-Methyl-2-pyrazinyl]-1-ethanoneDTXSID70669321-(3-Methylpyrazinyl)-Ethanone1-(3-Methylpyrazinyl)ethanone, 9CIMethyl (3-methylpyrazinyl) ketone, 8CI2-ACETYL-3-METHYLPYRAZINE [FHFI]
데이터베이스 식별자
- CAS
23787-80-6- PubChem CID
- 32093
- DTXSID
DTXSID7066932
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 42.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 136
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2-Acetyl-3-methylpyrazine) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.105-1.114
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
265.00 to 266.00 °C. @ 760.00 mm Hg
90 °C (20 mm Hg)
Refractive Index1.521-1.523
Physical Description
Liquid
colourless to light yellow liquid with a nutty, roasted grain, baked potato odour
물리화학적 성질
- 끓는 점
- 90 °C20 · 90 °C20 mm Hg(lit.)
- 밀도
- 1.114 g/mL · 1.114 g/mL at 25 °C(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (94.8%): 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 1456 reports by companies from 14 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Ethanone, 1-(3-methylpyrazinyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethanone, 1-(3-methylpyrazinyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (94.8%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-24/25
- 기존화학 물질
- KE-25313
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationEthanone, 1-(3-methyl-2-pyrazinyl)-: ACTIVE
응용 분야
출처Reported present in cocoa, coffee, meat, clams, scallops, pork (cured, fried) and French fries.
상·하류 제품 정보
상류 원료
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉鹏垒生物科技有限公司
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