1,3-ジフェニル-2-プロパノン

1,3-Diphenyl-2-propanone

HCID 7593CAS 102-04-5
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(Cc1ccccc1)Cc1ccccc1
InChIKey
YFKBXYGUSOXJGS-UHFFFAOYSA-N
分子式
C15H14O
平均分子量
210.27 g/mol
単同位体質量
210.10446507

概要

1,3-Diphenyl-2-propanone is an aromatic compound.

名称と識別子

優先名称
1,3-Diphenyl-2-propanone
IUPAC
1,3-diphenylpropan-2-one
現地名
1,3-ジフェニル-2-プロパノン
英語名
1,3-Diphenylacetone
分子式
C15H14O
分子量
210.27

名称と別名

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
名称をさらに表示
1,3-ジフェニル-2-プロパノンsym-ジフェニルアセトン1,3-ジフェニルアセトンジベンジルケトン1,3-ジフェニルプロパン-2-オン1，3ジフェニルアセトン1,3‐ジフェニルアセトンFEMA 2397Diphenylpropanone1,3-DIPHENYLACETONE / DIBENZYL KETONE-2-propanoneTwobenzyl ketone
EINECS 203-000-09Y07G5UDKQNSC-220312DTXSID50592441,3-DIPHENYL-2-PROPANONE [FHFI]1,3diphenylacetone1,3DiphenylpropanoneRefChem:414968

データベース識別子

CAS
102-04-5
PubChem CID
7593
DTXSID
DTXSID5059244
ChEMBL
CHEMBL4083314
ChEBI
CHEBI:174059
UNII
9Y07G5UDKQ
EC Number
203-000-0
Nikkaji
J5.001F

物性

構造計算による物性

XLogP
3.1
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
4
重原子数
16

実験および物理化学的性質

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

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Food

Flavoring AgentsEU Flavoring substances
Solubility · 2 件

insoluble in water; soluble in organic solvents, oils

very soluble (in ethanol)

Boiling Point · 2 件

330.00 to 331.00 °C. @ 760.00 mm Hg

330 °C

物理化学的性質

融点
32 · 32-34 °C(lit.)
沸点
330 °C · 330 °C(lit.)
比重(密度)
1.04 · 1.04
屈折率
1.5725 · 1.5725 (estimate)
FEMA
2397 · 2397 | 1,3-DIPHENYL-2-PROPANONE
闪点
230 °F · >230 °F

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 3 件

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

安全データ

wgk
3
tsca
TSCA listed
rtecs
EC2030000
hs_code
29143990
safety_code
24/25-22
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

UsesUsed as a flavoring agent or adjuvant; [FDA]
Use Classification · 4 件

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
応用分野 · 3 件

解説1,3-diphenyl-2-propanone．C15H14O(210.27)．C6H5CH2COCH2C6H5．結晶．融点35 ℃，沸点331 ℃，111～125 ℃(13 Pa)．n-ヘキサン中，窒素雰囲気下に光照射すると，一酸化炭素を放出して，1,2-ジフェニルエタンに分解する．[CAS 102-04-5]森北出版「化学辞典（第2版）

用途有機合成原料。香料原料。

使用1,3-Diphenylacetone is used in the aldol condensation reaction with benzil (a dicarbonyl) and base to create tetraphenylcyclopentadienone.

調製方法 · 2 件

製造方法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.

純化方法Fractionally crystallise it from its melt, then crystallise it from pet ether. Store it in the dark. [Beilstein 7 IV 1420.]

上流・下流製品情報

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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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