基本情報
- CAS
6090-09-1- 標準SMILES
CC(=O)C1CC=C(C)CC1- InChIKey
HOBBEYSRFFJETF-UHFFFAOYSA-N- 分子式
- C9H14O
- 平均分子量
- 138.21 g/mol
- 単同位体質量
- 138.10446507
概要
4-Acetyl-1-methylcyclohexene is a ketone.
名称と識別子
- 優先名称
- 4-Acetyl-1-methylcyclohexene
- IUPAC
- 1-(4-methylcyclohex-3-en-1-yl)ethanone
- 現地名
- 1-(4-メチル-3-シクロヘキセニル)エタノン
- 英語名
- 4-acetyl-1-methyl-1-cyclohexene
- 分子式
- C9H14O
- 分子量
- 138.21
名称と別名
6090-09-14-Acetyl-1-methylcyclohexene1-(4-methylcyclohex-3-en-1-yl)ethan-1-oneX7R8GY320M1-(4-METHYL-3-CYCLOHEXEN-1-YL)-ETHANONEFEMA NO. 4827DTXSID20867915AMCH cpdRefChem:425840DTXCID20816064833-278-44-Acetyl-1-methyl-1-cyclohexene
名称をさらに表示
1-メチル-1-シクロヘキセン-4-イル(メチル)ケトン4'-メチル-1',2',3',6'-テトラヒドロアセトフェノン1-(4-メチル-3-シクロヘキセニル)エタノン4-アセチル-1-メチル-1-シクロヘキセンメチル(4-メチル-3-シクロヘキセニル)ケトン1-メチル-4-アセチル-1-シクロヘキセン1-メチル-4-アセチルシクロヘキセン4-アセチル-1-メチルシクロヘキセン4′-メチル-1′,2′,3′,6′-テトラヒドロアセトフェノン1-(4-メチルシクロヘキサ-3-エン-1-イル)エタン-1-オン1-Methyl-4-acetylcyclohexeneMethyl(4-methyl-3-cyclohexenyl) ketone4-Methyl-3-cyclohexen-1-yl methyl ketone1-Methyl-1-cyclohexene-4-yl(methyl) ketone4'-Methyl-1',2',3',6'-tetrahydroacetophenone
1-(4-methylcyclohex-3-en-1-yl)ethanone1-(4-Methyl-3-cyclohexen-1-yl)ethanoneLimona ketoneEthanone, 1-(4-methyl-3-cyclohexen-1-yl)-MFCD000106121-Methyl-4-acetyl-1-cyclohexeneCyclohexene, 1-methyl-4-acetylCyclohexene, 4-acetyl-1-methyl
物性
構造計算による物性
- XLogP
- 1.3
- 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
- 1
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 168
物理化学的性質
- 沸点
- 189.5 · 189.5±0.0℃ (760 Torr)
- 比重(密度)
- 0.9385 g/cm3 · 0.9385 g/cm3 (20 ºC)
- 屈折率
- 1.471 · 1.4710 (589.3 nm 20℃)
- FEMA
- 4827 · 4827 | 1-(4-METHYL-3-CYCLOHEXEN-1-YL)-ETHANONE
- 闪点
- 76.7 · 76.7±0.0℃
- 貯蔵温度
- Sealed in dry,Room Temperature
- LogP
- 2.19 · 2.190 (est)
- EPAの化学物質情報
- 4 · 4-Acetyl-1-methylcyclohexene (6090-09-1)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H227 (33.3%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
General Manufacturing InformationEthanone, 1-(4-methyl-3-cyclohexen-1-yl)-: ACTIVE
応用分野
使用1-(4-methyl-3-cyclohexen-1-yl)ethanone is an essential oil found in Cedrus atlantica wood and orange peels.
調製方法
純化方法Purify it by fractionation under reduced pressure in vacuo, and if it is almost pure it can be fractionated at atmospheric pressure, preferably in an inert atmosphere. It forms two semicarbazones one of which is more soluble in *C6H6, and both can be recrystallised from EtOH; the more soluble has m 149o(151o), and the less soluble has m 172-175o(191o). The 4-nitrophenylhydrazone has m 166-167o and the 2,4-dinitrophenylhydrazone has m 114-115o. [Pfau & Plattner Helv Chim Acta 17 129, 142 1934, Adler & Vogt Justus Liebigs Ann Chem 564 109 1949.]
上流・下流製品情報
上流原料
関連反応
2 件
化合物ノート
読み込み中…