3'-メトキシプロピオフェノン

3'-Methoxypropiophenone

HCID 584765CAS 37951-49-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC(=O)c1cccc(OC)c1
InChIKey: LPDJHUUWTGXTCU-UHFFFAOYSA-N
分子式: C10H12O2
平均分子量: 164.2 g/mol
単同位体質量: 164.08372962

名称と識別子

優先名称: 3'-Methoxypropiophenone
IUPAC: 1-(3-methoxyphenyl)propan-1-one
現地名: 3'-メトキシプロピオフェノン
英語名: 3'-methoxypropiophenone
分子式: C10H12O2
分子量: 164.2

名称と別名

3'-Methoxypropiophenone37951-49-81-(3-methoxyphenyl)propan-1-one1-Propanone, 1-(3-methoxyphenyl)-EINECS 253-729-3DTXSID80191389RefChem:484701DTXCID40113880253-729-31-(3-Methoxyphenyl)-1-propanone1-(3-methoxy-phenyl)-propan-1-one3'-Methoxypropiophenon

名称をさらに表示

1-(3-メトキシフェニル)-1-プロパノン3'-メトキシプロピオフェノン1-(3-メトキシフェニル)プロパン-1-オン3′-メトキシプロピオフェノン3-methoxypropiophenone3'-Methoxypropiophenone, 99%1-(3-methoxy-phenyl)propan-1-one

3`-MethoxypropiophenoneMFCD084588233 inverted exclamation mark -Methoxypropiophenonem-Methoxypropiophenone3-methoxyphenyl ethyl ke3-methoxyphenyl ethyl ketoneF3SB684FEW3-Methoxypropiophenone, 97%

データベース識別子

CAS: 37951-49-8
PubChem CID: 584765
DTXSID: DTXSID80191389
UNII: F3SB684FEW
EC Number: 253-729-3
Nikkaji: J261.276C

物性

構造計算による物性

XLogP: 2.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 154

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

沸点: 259 ℃ · 259℃
比重(密度): 1.0812 · 1.0812
屈折率: 1.523 · 1.5230 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
InChI: InChI=1S/C10H12O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
InChIKey: LPDJHUUWTGXTCU-UHFFFAOYSA-N
SMILES: C(C1=CC=CC(OC)=C1)(=O)CC

化学的性質

化学的特性3'-methoxypropiophenone is an organic compound belonging to the ketone class of compounds. It is a yellow to yellow brown liquid with a boiling point of 259 °C.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 78.6% (11 of 14) of all reports.

Warning

H302 (21.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 11-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21686

Hazard Classes and CategoriesAcute Tox. 4 (21.4%)

安全データ

hs_code: 2914500090

化学と産業

応用分野

使用3'-methoxypropiophenone has a wide range of applications in the fields of medicine, chemistry, and industry.

調製方法

製造方法Preparation by reaction of ethylmagnesium bromide,with m-methoxybenzonitrile (m.p. 60°)with 3-methoxybenzaldehyde and oxidation of the resulting 1-(3-methoxyphenyl)-1-propanol with sodium dichromate in sulfuric acid (70%).