Cyclohexanone, 2-(2-propen-1-yl)- (HCID 78944)

名称と識別子

優先名称: Cyclohexanone, 2-(2-propen-1-yl)-
IUPAC: 2-prop-2-enylcyclohexan-1-one
現地名: 2-(2-プロペニル)シクロヘキサノン
英語名: 2-Allylcyclohexanone
分子式: C9H14O
分子量: 138.21

名称と別名

2-Allylcyclohexanone94-66-6Cyclohexanone, 2-(2-propenyl)-2-Allylcyclohexan-1-oneCyclohexanone, 2-allyl-Cyclohexanone, 2-(2-propen-1-yl)-EINECS 202-352-2NSC 128921AI3-07009DTXSID90883283RefChem:580719Cyclohexanone, 2-allyl-(8CI)

名称をさらに表示

2-(2-プロペニル)シクロヘキサノン2-アリルシクロヘキサノン2‐アリルシクロヘキサノンO-アリルシクロヘキサノンTIMTEC-BB SBB006544O-ALLYLCYCLOHEXANONE2-Allylcyclohexanone 97%2-Allylcyclohexanone >2-Allylcyclohexanone, 97 %2-(2-propenyl)-cyclohexanon

DTXCID901022826202-352-22-prop-2-enylcyclohexan-1-one2-(prop-2-en-1-yl)cyclohexan-1-oneMFCD00043548NSC-1289212-(2-Propenyl)cyclohexanoneNSC128921

データベース識別子

CAS: 94-66-6
PubChem CID: 78944
DTXSID: DTXSID90883283
UNII: KA2CS982EX
EC Number: 202-352-2
Nikkaji: J182.106G

物性

構造計算による物性

XLogP: 2.1
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: 10
形式電荷: 0
複雑度: 138

物理化学的性質

沸点: 94 °C/23 · 94 °C/23 mmHg (lit.)
比重(密度): 0.927 g/mL · 0.927 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.469(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C, stored under nitrogen
外見: clear liquid
色: Colorless to Light yellow to Light orange
比重: 0.927 · 0.927
水溶解度: 不溶性
InChI: 1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2
InChIKey: UPGHEUSRLZSXAE-UHFFFAOYSA-N
SMILES: C=CCC1CCCCC1=O
CAS データベース: 94 · 94-66-6(CAS DataBase Reference)
NISTの化学物質情報: 2 · Cyclohexanone, 2-(2-propenyl)-(94-66-6)
EPAの化学物質情報: 2 · Cyclohexanone, 2-(2-propenyl)- (94-66-6)

化学的性質

化学的特性clear light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3077
hs_code: 29142990
risk_code: 20/21/22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn,Xi
safety_code: 22-26-36/37/39-45-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationCyclohexanone, 2-(2-propen-1-yl)-: INACTIVE

応用分野 · 3 件

用途有機合成原料。

使用2-Allylcyclohexanone may be used in the synthesis of the following:bicyclo[3.3.1]non-2-en-9-oneR-(-)-epilachnene, an antipode of the defensive droplets from the Mexican bean beetle, Epilachna varivestis

一般的な説明2-Allylcyclohexanone is a β,γ-unsaturated ketone. Selective oxidation of 2-allylcyclohexanone by benzonitrile-hydrogen peroxide has been reported. Asymmetric synthesis of 2-alkylcyclohexanones by alkylation of cyclohexanone enamines (III) of L-proline ester derivatives has been described. Oxidation of 2-allylcyclohexanone by 90% hydrogen peroxide catalyzed by arsonated polystyrene has been studied.

上流・下流製品情報

上流原料

ベンゾトリフルオリドカリウムヒドロキシド 3-propan-2-yloxyprop-1-ene Carbonic acid, 1-cyclohexen-1-yl 2-propen-1-yl ester Stannane, tributyl(1-cyclohexen-1-yloxy)-Cyclohexane, (2-propen-1-yloxy)-アリルプロピルエーテル Allyl 2-Oxocyclohexanecarboxylate 1-モルホリノ-1-シクロヘキセン 1-ピロリジノ-1-シクロヘキセンアリルベンジルエーテルアリルエチルエーテル

サプライヤー50 社

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南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

2-(2-プロペニル)シクロヘキサノン

基本情報