CAS 3019-25-8 1-Cyclobutylethan-1-one (HCID 76398)

基本情報

CAS: 3019-25-8
標準SMILES: CC(=O)C1CCC1
InChIKey: JPJOOTWNILDNAW-UHFFFAOYSA-N
分子式: C6H10O
平均分子量: 98.14 g/mol
単同位体質量: 98.07316494

名称と識別子

優先名称: 1-Cyclobutylethan-1-one
IUPAC: 1-cyclobutylethanone
現地名: アセチルシクロブタン
英語名: Cyclobutyl methyl ketone
分子式: C6H10O
分子量: 98.14

名称と別名

3019-25-8Cyclobutyl methyl ketone1-Cyclobutylethan-1-oneEINECS 221-163-6DTXSID50184263RefChem:431599DTXCID60106754221-163-61-CyclobutylethanoneAcetylcyclobutaneEthanone, 1-cyclobutyl-MFCD00037148

名称をさらに表示

アセチルシクロブタン1-アセチルシクロブタンシクロブチル(メチル)ケトンメチルシクロブチルケトン1-シクロブチルエタノンシクロブチルメチルケトン1-シクロブチルエタン-1-オン1-シクロブトイルエタノン1-AcetylcyclobutaneCyclobutane, acetyl-Acetylcyclobutane>Ethanone, 1-cyclobutyl-

1-cyclobutyl-ethanoneAcetylcyclobutanKetone, cyclobutyl methylCyclobutylethanone1-Cyclobutylethanone #Methyl cyclobutyl ketoneGEO-00006AKOS005257570

データベース識別子

CAS: 3019-25-8
PubChem CID: 76398
DTXSID: DTXSID50184263
EC Number: 221-163-6
Nikkaji: J80.618H

物性

構造計算による物性

XLogP: 0.9
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: 1
重原子数: 7
形式電荷: 0
複雑度: 82

物理化学的性質

沸点: 137 · 137-139 °C/754 mmHg (lit.)
比重(密度): 0.902 g/mL · 0.902 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.432(lit.)
闪点: 84 °F · 84 °F
貯蔵温度: Flammables area
外見: clear liquid
色: Colorless to Almost colorless
BRN: 1924022 · 1924022
InChI: 1S/C6H10O/c1-5(7)6-3-2-4-6/h6H,2-4H2,1H3
InChIKey: JPJOOTWNILDNAW-UHFFFAOYSA-N
SMILES: CC(=O)C1CCC1

化学的性質

化学的特性clear colorless to yellow-greenish liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1224 3/PG 3
hs_code: 29142900
risk_code: 10-22
消防法: 危-4-2-III
hazard_code: Xn
safety_code: 16-29-33
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

使用Cyclobutyl methyl ketone may be used as a model compound to study the oxidation mechanism of pinonic acid by hydroxyl radicals.

一般的な説明Cyclobutyl methyl ketone (CMK, methyl cyclobutyl ketone) is an alicyclic ketone. It has been synthesized by reacting cyclobutanecarbonyl chloride with magnesium salt of malonic ester. The mechanism of the photochemical reaction of gaseous mixtures of cyclobutyl methyl ketone diluted in argon has been studied by steady-state and pulsed (laser) photolysis. It′s infrared (3500 to 30cm-1) and Raman (3200 to 30cm-1) spectra in gaseous and solid state has been recorded. The UV spectra have been measured in alcohol and isooctane solution. Study on the vapour phase thermal and photodecomposition of methyl cyclobutyl ketone shows that the mode of decomposition is free radical in nature.