2-シクロヘキシリデンシクロヘキサノン

Bicyclohexyliden-2-one

HCID 13892CAS 1011-12-7

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1CCCCC1=C1CCCCC1
InChIKey: TYDSIOSLHQWFOU-UHFFFAOYSA-N
分子式: C12H18O
平均分子量: 178.27 g/mol
単同位体質量: 178.13576519

名称と識別子

優先名称: Bicyclohexyliden-2-one
IUPAC: 2-cyclohexylidenecyclohexan-1-one
現地名: 2-シクロヘキシリデンシクロヘキサノン
英語名: 2-cyclohexylidenecyclohexanone
分子式: C12H18O
分子量: 178.27

名称と別名

1011-12-72-CYCLOHEXYLIDENECYCLOHEXANONEBicyclohexyliden-2-oneCyclohexanone, 2-cyclohexylidene-DianonG1VAK47QOVEINECS 213-779-9NSC 61652NSC-61652AI3-04026DTXSID30862512RefChem:568318

名称をさらに表示

ジアノン2-(シクロヘキサン-1-イリデン)シクロヘキサン-1-オンΔ1,1'-ビシクロヘキサン-2-オン2-シクロヘキシリデンシクロヘキサノン[1,1'-ビ(シクロヘキシリデン)]-2-オン2-シクロヘキシリデンシクロヘキサン-1-オンΔ1,1′-ビシクロヘキサン-2-オン2-(シクロヘキシリデン)シクロヘキサノンNsc61652BicyclohexylideneVigabatrin ImpurityBICYCLOHEXYLIDENE-2-ONEPicoxystrobin Impurity 22-Cyclohexylidencyclohexanon1,1'-bi(cyclohexylidene)]-2-one

DTXCID30811262213-779-92-cyclohexylidenecyclohexan-1-oneCyclohexanone, cyclohexylidene-Cyclohexylidenecyclohexanone[1,1'-Bi(cyclohexylidene)]-2-one2-Cyclohexylidene-cyclohexanoneMFCD19443386

データベース識別子

CAS: 1011-12-7、35255-48-2
PubChem CID: 13892
DTXSID: DTXSID30862512
UNII: G1VAK47QOV
EC Number: 213-779-9
Nikkaji: J121.204D

物性

構造計算による物性

XLogP: 2.9
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: 0
重原子数: 13
形式電荷: 0
複雑度: 230

物理化学的性質

融点: 57 °C · 57 °C
沸点: 270.52 °C · 270.52°C (rough estimate)
比重(密度): 0.9249 · 0.9249 (rough estimate)
屈折率: 1.4877 · 1.4877 (estimate)
貯蔵温度: -20 °C · -20°C Freezer, Under inert atmosphere
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
色: ホワイトからオフホワイト
化粧品成分の機能: 香料
LogP: 1.91 · 1.910 (est)
EPAの化学物質情報: 2 · 2-Cyclohexylidenecyclohexanone (1011-12-7)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (234 of 234) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 234 of 234 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 234 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 234 of 234 reports by companies.；There are 0 notifications provided by 0 of 234 reports by companies with hazard statement code(s).；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

Regulatory InformationChemical: Cyclohexanone, 2-cyclohexylidene-

Hazard Classes and CategoriesNot Classified

法規制情報

Regulatory InformationChemical: Cyclohexanone, 2-cyclohexylidene-

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing InformationCyclohexanone, 2-cyclohexylidene-: ACTIVE

応用分野

使用2-Cyclohexylidene-cyclohexanone is a possible impurity of Picoxystrobin (P437600) which is methoxyacrylate strobilurin fungicide designed for the control of wide range of cereal diseases.

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