1,3-Diphenyl-2-propanone

HCID 7593CAS 102-04-5
부분 구조 검색유사 구조 찾기

기본 정보

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 물성

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

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesBoiling point
Food Additives · 2건

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Food

Flavoring AgentsEU Flavoring substances
Solubility · 2건

insoluble in water; soluble in organic solvents, oils

very soluble (in ethanol)

Boiling Point · 2건

330.00 to 331.00 °C. @ 760.00 mm Hg

330 °C

물리화학적 성질

녹는점
32 · 32-34 °C(lit.)
끓는 점
330 °C · 330 °C(lit.)
밀도
1.04 · 1.04
굴절률
1.5725 · 1.5725 (estimate)
FEMA
2397 · 2397 | 1,3-DIPHENYL-2-PROPANONE
인화점
230 °F · >230 °F

안전 및 규제

GHS 분류

GHS Classification · 3건

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 · 3건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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 · 4건

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 · 1건

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

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

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