메틸피리딜케톤
2-Acetylpyridine
기본 정보
- CAS
1122-62-9- 표준 SMILES
CC(=O)c1ccccn1- InChIKey
AJKVQEKCUACUMD-UHFFFAOYSA-N- 분자식
- C7H7NO
- 평균 분자량
- 121.14 g/mol
- 단동위원소 질량
- 121.05276385
개요
2-Acetylpyridine is an aromatic ketone.
이름 및 식별자
- 우선 이름
- 2-Acetylpyridine
- IUPAC
- 1-pyridin-2-ylethanone
- 현지명
- 메틸피리딜케톤
- 영어명
- Methylpyridylketone
- 분자식
- C7H7NO
- 분자량
- 0
이름 및 동의어
2-ACETYLPYRIDINE1122-62-91-pyridin-2-ylethanoneMethyl 2-pyridyl ketone1-(Pyridin-2-Yl)Ethan-1-OneKetone, methyl 2-pyridyl2-AcetopyridineEthanone, 1-(2-pyridinyl)-FEMA No. 3251629O10UI3LNSC-15043RefChem:85007
이름 더 보기
메틸피리딜케톤
214-355-61-(pyridin-2-yl)ethanoneAcetylpyridine1-(2-Pyridinyl)ethanone2-Pyridyl methyl ketone1-Pyridin-2-yl-ethanoneMFCD00006303Acetyl pyridine
데이터베이스 식별자
- CAS
1122-62-9、30440-88-1- PubChem CID
- 14286
- DTXSID
DTXSID7024409- ChEMBL
CHEMBL11945- ChEBI
CHEBI:193619- UNII
- 629O10UI3L
- EC Number
- 214-355-6
- Nikkaji
- J71.242F
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 30 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 111
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
FragrancesFragrance Ingredient (2-Acetylpyridine) -> IFRA transparency List
LogP
0.85
0.83
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.077-1.084
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in ether and acids
Soluble (in ethanol)
Boiling Point
189.00 to 193.00 °C. @ 760.00 mm Hg
189-193 °C
Vapor Pressure0.37 [mmHg]
Refractive Index1.518-1.524
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 73.1% (320 of 438) of all reports.
Warning
H315 (26.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 438 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Ethanone, 1-(2-pyridinyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Methyl 2-pyridyl ketone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (26.9%)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationEthanone, 1-(2-pyridinyl)-: ACTIVE
관련 반응
159건
화합물 노트
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