기본 정보
- CAS
54300-09-3- 표준 SMILES
CC(=O)c1nc(C)cnc1C- InChIKey
JFUVDGXTDCVGHA-UHFFFAOYSA-N- 분자식
- C8H10N2O
- 평균 분자량
- 150.18 g/mol
- 단동위원소 질량
- 150.07931295
개요
2-Acetyl-3,6-dimethylpyrazine is an aromatic ketone.
이름 및 식별자
- 우선 이름
- 2-Acetyl-3,6-dimethylpyrazine
- IUPAC
- 1-(3,6-dimethylpyrazin-2-yl)ethanone
- 현지명
- 1-(3,6-디메틸피라지닐)에탄-1-온
- 영어명
- 1-(3,6-dimethylpyrazinyl)ethan-1-one
- 분자식
- C8H10N2O
- 분자량
- 150.18
이름 및 동의어
2-Acetyl-3,6-dimethylpyrazine1-(3,6-Dimethylpyrazinyl)ethan-1-one1-(3,6-DIMETHYLPYRAZIN-2-YL)ETHAN-1-ONEEthanone, 1-(3,6-dimethylpyrazinyl)-UNII-1C9JLA6I6UEINECS 259-077-61C9JLA6I6UEthanone, 1-(3,6-dimethyl-2-pyrazinyl)-Pyrazine, 2-acetyl-3,6-dimethylDTXSID60689391-(3,6-Dimethylpyrazinyl)-EthanoneFEMA NO. 3327, 6-METHYL-
이름 더 보기
1-(3,6-디메틸피라지닐)에탄-1-온1-(3,6-DMETHYLPYRAZIN-2-YL)ETHANONE
1-(3,6-Dimethyl-2-pyrazinyl)-Ethanone1-(3,6-Dimethylpyrazinyl)ethanone, 9CIRefChem:84968DTXCID7041677JFUVDGXTDCVGHA-UHFFFAOYSA-N1-(3,6-dimethylpyrazin-2-yl)ethanone54300-09-3MFCD00055033
데이터베이스 식별자
- CAS
54300-09-3- PubChem CID
- 104722
- DTXSID
DTXSID6068939- ChEBI
CHEBI:169345- UNII
- 1C9JLA6I6U
- EC Number
- 259-077-6
- Nikkaji
- J266.852A
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 42.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 158
실험 및 물리화학적 성질
LogP1.080
Boiling Point238.00 to 239.00 °C. @ 760.00 mm Hg
물리화학적 성질
- FEMA
- 3327 · 3327 | 2-ACETYL-3,5(AND 6)-DIMETHYLPYRAZINE
- 저장 조건
- Sealed in dry,Room Temperature
- 냄새
- 0.1 % · 프로필렌 글리콜 중 0.10%. 팝콘 구운 헤이즐넛 카라멜릭
- 냄새 유형
- 팝콘
- JECFA Number
- 786 · 786
- LogP
- 1.08 · 1.080
- EPA
- 1 · Ethanone, 1-(3,6-dimethylpyrazinyl)- (54300-09-3)
화학적 성질
It has an odor of roasted hazelnut with caramel popcorn nuances
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Ethanone, 1-(3,6-dimethylpyrazinyl)-
Ethanone, 1-(3,6-dimethylpyrazinyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
General Manufacturing InformationEthanone, 1-(3,6-dimethyl-2-pyrazinyl)-: INACTIVE
응용 분야
출처Reported found in coffee
제조 방법
From the corresponding dimethyl-ethylpyrazine by bromination, followed by oxidation to the ketone
공급사10 곳
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
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