4'-シクロヘキシルアセトフェノン

1-(4-Cyclohexylphenyl)ethan-1-one

HCID 87715

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 18594-05-3
標準SMILES: CC(=O)c1ccc(C2CCCCC2)cc1
InChIKey: MSDQNIRGPBARGC-UHFFFAOYSA-N
分子式: C14H18O
平均分子量: 202.29 g/mol
単同位体質量: 202.13576519

名称と識別子

優先名称: 1-(4-Cyclohexylphenyl)ethan-1-one
IUPAC: 1-(4-cyclohexylphenyl)ethanone
現地名: 4'-シクロヘキシルアセトフェノン
英語名: 4'-CYCLOHEXYLACETOPHENONE
分子式: C14H18O
分子量: 202.29

名称と別名

18594-05-31-(4-Cyclohexylphenyl)ethanone1-(4-Cyclohexylphenyl)ethan-1-oneEthanone, 1-(4-cyclohexylphenyl)-EINECS 242-432-4MSDQNIRGPBARGC-UHFFFAOYSA-DTXSID70171817RefChem:425367DTXCID6094308242-432-4InChI=1/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H34'-Cyclohexylacetophenone

名称をさらに表示

4'-シクロヘキシルアセトフェノン1-(4-シクロヘキシルフェニル)エタノン4′-シクロヘキシルアセトフェノン1-(4-シクロヘキシルフェニル)エタン-1-オンCyclohexylacetophenoneLABOTEST-BB LT000001224-cyclohexylbenzenethyloneP-cyclo hexanylacetophenone4'-Cyclohexylacetophenone >4'-Cyclohexylacetophenone 98%4-CyclohexylacetophenonebyEMKA

4-CyclohexylacetophenoneMFCD000014531-acetyl-4-cyclohexylbenzeneSCHEMBL9671331-(4-cyclohexylphenyl)-ethanone1-(4-cyclohexyl-phenyl)-ethanone1-(4-Cyclohexylphenyl)ethanone #p-cyclohexylacetophenone

データベース識別子

CAS: 18594-05-3
PubChem CID: 87715
DTXSID: DTXSID70171817
EC Number: 242-432-4
Nikkaji: J132.621J

物性

構造計算による物性

XLogP: 4.3
極性表面積: 17.1 Å²
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: 2
重原子数: 15
形式電荷: 0
複雑度: 207

実験および物理化学的性質

SpringerMaterials PropertiesChemical structure

物理化学的性質

融点: 68 · 68-70 °C(lit.)
沸点: 179 · 179-181 °C14 mm Hg(lit.)
比重(密度): 0.9655 · 0.9655 (rough estimate)
屈折率: 1.5397 · 1.5397 (estimate)
闪点: 179 · 179-181°C/14mm
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
色: White to Light yellow to Light orange
BRN: 1962365 · 1962365
InChI: 1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKey: MSDQNIRGPBARGC-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(cc1)C2CCCCC2
LogP: 4.18 · 4.180 (est)
CAS データベース: 18594 · 18594-05-3(CAS DataBase Reference)

化学的性質

化学的特性white to yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 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 InformationEthanone, 1-(4-cyclohexylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

安全データ

wgk: 3
hs_code: 29143900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

一般的な説明Antimycobacterial activity of 4-cyclohexylacetophenone was studied. The tricarbonylchromium complexes of 4-cyclohexylacetophenone were prepared and spectral properties were studied.