1,3-Diphenyl-2-propanone
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기본 정보
- CAS
102-04-5- 표준 SMILES
O=C(Cc1ccccc1)Cc1ccccc1- InChIKey
YFKBXYGUSOXJGS-UHFFFAOYSA-N- 분자식
- C15H14O
- 평균 분자량
- 210.27 g/mol
- 단동위원소 질량
- 210.10446507
개요
1,3-Diphenyl-2-propanone is an aromatic compound.
이름 및 식별자
- 우선 이름
- 1,3-Diphenyl-2-propanone
- IUPAC
- 1,3-diphenylpropan-2-one
- 영어명
- 1,3-Diphenylacetone
- 분자식
- C15H14O
- 분자량
- 210.27
이름 및 동의어
1,3-Diphenylacetone102-04-51,3-diphenylpropan-2-one1,3-Diphenyl-2-propanoneDIBENZYL KETONE2-Propanone, 1,3-diphenyl-Benzyl ketone1,3-Diphenylpropanonealpha,alpha'-DiphenylacetoneFEMA No. 2397NSC 220312AI3-05001
이름 더 보기
FEMA 2397Diphenylpropanone1,3-DIPHENYLACETONE / DIBENZYL KETONE-2-propanoneTwobenzyl ketone
EINECS 203-000-09Y07G5UDKQNSC-220312DTXSID50592441,3-DIPHENYL-2-PROPANONE [FHFI]1,3diphenylacetone1,3DiphenylpropanoneRefChem:414968
데이터베이스 식별자
- CAS
102-04-5- PubChem CID
- 7593
- DTXSID
DTXSID5059244- ChEMBL
CHEMBL4083314- ChEBI
CHEBI:174059- UNII
- 9Y07G5UDKQ
- EC Number
- 203-000-0
- Nikkaji
- J5.001F
물성
구조 계산 물성보충 중
- XLogP
- 3.1
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 187
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesBoiling point
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Food
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
very soluble (in ethanol)
Boiling Point
330.00 to 331.00 °C. @ 760.00 mm Hg
330 °C
Melting Point35 - 36 °C
Physical Description
Melting point = 35 deg C; [ChemIDplus] Light yellow or white crystalline solid; mp = 32-36 deg C; [Alfa Aesar MSDS]
Solid
white or colourless crystals with a sweet, faint fruity-almond odour
물리화학적 성질
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 100% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Propanone, 1,3-diphenyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propanone, 1,3-diphenyl-: 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] Causes ataxia in oral lethal-dose studies of rats; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Propiophenone.
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EC2030000
- HS 번호
- 29143990
- safety_code
- 24/25-22
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesUsed as a flavoring agent or adjuvant; [FDA]
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 Information2-Propanone, 1,3-diphenyl-: ACTIVE
응용 분야
용도1,3-Diphenylacetone is used in the aldol condensation reaction with benzil (a dicarbonyl) and base to create tetraphenylcyclopentadienone.
제조 방법
By heating α,α’-phenyl benzyl ethylene glycol or α,α’-phenyl benzyl ethylene oxide in the presence of diluted H2SO4 or ZnCl2; also by dry distillation of phenylacetate and magnesium chloride (C6H5CH2COOMgCl) or other salts of phenylacetic acid.
상·하류 제품 정보
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