기본 정보
- CAS
89-74-7- 표준 SMILES
CC(=O)c1ccc(C)cc1C- InChIKey
HSDSKVWQTONQBJ-UHFFFAOYSA-N- 분자식
- C10H12O
- 평균 분자량
- 148.2 g/mol
- 단동위원소 질량
- 148.088815
개요
2',4'-Dimethylacetophenone is an aromatic ketone.
이름 및 식별자
- 우선 이름
- 2,4-Dimethylacetophenone
- IUPAC
- 1-(2,4-dimethylphenyl)ethanone
- 현지명
- 디메틸아세토페논
- 영어명
- 2',4'-Dimethylacetophenone
- 분자식
- C10H12O
- 분자량
- 148.2
이름 및 동의어
2',4'-Dimethylacetophenone89-74-72,4-DimethylacetophenoneAcetyl-m-xyleneEthanone, 1-(2,4-dimethylphenyl)-1-(2,4-Dimethylphenyl)ethan-1-oneAcetophenone, 2',4'-dimethyl-FEMA No. 2387Methyl 2,4-dimethylphenyl ketone8K29ME27YAEINECS 201-935-9NSC 15333
이름 더 보기
4-디메틸아세토페논디메틸아세토페논2',4'-다이메틸아세토펜온1-(2,4-dimethylphenyl)-EthanoneFEMA 2387ASISCHEM D292574-ACETYL-M-XYLENE4-Acetyl-m-xyletnDiMethylacetophenonePiribedil Impurity 20
NSC-15333AI3-208012,4-DIMETHYLACETOPHENONE [FHFI]RefChem:443769Methyl 2,4 dimethylphenyl ketone201-935-91-(2,4-DIMETHYLPHENYL)ETHANONE2,4-dimethylacetophenon
데이터베이스 식별자
- CAS
89-74-7- PubChem CID
- 6985
- DTXSID
DTXSID9058997- ChEMBL
CHEMBL541939
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 151
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.993-0.999
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
117.00 to 118.00 °C. @ 18.00 mm Hg
228 °C
Refractive Index1.532-1.536
Physical Descriptioncolourless to slightly yellow oily liquid with a sweet, floral, woody, minty odour
물리화학적 성질
- 녹는점
- 22.95 °C · 22.95°C
- 끓는 점
- 117 · 117-118 °C18 mm Hg(lit.)
- 밀도
- 0.997 g/mL · 0.997 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
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Ethanone, 1-(2,4-dimethylphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethanone, 1-(2,4-dimethylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- HS 번호
- 29143990
- risk_code
- 36-20/22
- hazard_code
- Xn,Xi
- safety_code
- 39-26-24/25
- 위험 참고 사항
- Irritant/Harmful
- 스토리지 클래스
- 10 - Combustible liquids
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
General Manufacturing InformationEthanone, 1-(2,4-dimethylphenyl)-: INACTIVE
응용 분야
출처Reported found in cinnamon bark, wine, tea, watercress and dried bonito.
제조 방법
By condensation of acetylchloride and m-xylene in the presence of aluminum chloride or in the presence of ferric chloride
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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