1-[3,3-ジメチルビシクロ[2.2.1]ヘプタン-2-イル]エタノン

1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one

HCID 162512

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 42370-07-0
標準SMILES: CC(=O)C1C2CCC(C2)C1(C)C
InChIKey: NGTMQRCBACIUES-UHFFFAOYSA-N
分子式: C11H18O
平均分子量: 166.26 g/mol
単同位体質量: 166.1357652

概要

structure in first source

名称と識別子

優先名称: 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one
IUPAC: 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
現地名: 1-[3,3-ジメチルビシクロ[2.2.1]ヘプタン-2-イル]エタノン
英語名: CAMEK DH
分子式: C11H18O
分子量: 166.26

名称と別名

RefChem:5924571-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one42370-07-01-(3,3-Dimethylbicyclo[2.2.1]hept-2-yl)ethan-1-one1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone2-acetyl-3,3-dimethylnorbornane1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethan-1-oneEthanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-2-yl)-Ethanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-herbal ethanone2-Acetyl-3,3-dimethylnorbomaneEINECS 255-779-1

名称をさらに表示

1-[3,3-ジメチルビシクロ[2.2.1]ヘプタン-2-イル]エタノン1-(3,3-ジメチルノルボルナン-2-イル)エタノンCAMEK DHNORBORNANE, 2-ACETYL-3,3-DIMETHYL1-(3,3-Dimethylnorbornan-2-yl)ethanone1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-ethanon1-[3,3-dimethylbicyclo[2.2.1]hept-2-yl]-EthanoneEthanone, 1-(3,3-dimethylbicyclo2.2.1hept-2-yl)-1-[3,3-Dimethylbicyclo[2.2.1]heptan-2-yl]ethanone

SCHEMBL4536902-ACETYL-3,3-DIMETHYLBICYCLO(2.2.1)HEPTANEDTXSID5052094AKOS0242628781-(3,3-Dimethyl-2-norbornyl)-ethanonDB-237874NS00012267Ketone, 3,3-dimethyl-2-norbornyl methyl, endo-

データベース識別子

CAS: 42370-07-0
PubChem CID: 162512
DTXSID: DTXSID5052094
EC Number: 255-779-1
Nikkaji: J261.063I

物性

構造計算による物性

XLogP: 2.8
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: 12
形式電荷: 0
複雑度: 217

物理化学的性質

沸点: 225.1 · 225.1±8.0 °C(Predicted)
比重(密度): 0.95 · 0.950±0.06 g/cm3(Predicted)
臭い (Odor): 100 %で。樟脳 · 100.00%で。樟脳ハーブミントウッディアップル
においのタイプ: 樟脳のような
化粧品成分の機能: 香料
LogP: 2.918 · 2.918 (est)
EPAの化学物質情報: 1 · Ethanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)- (42370-07-0)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 39.2% (60 of 153) of reports.

Warning

H302 (25.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.