トリシクロ[5.2.1.0(2,6)]デカン-8-オン

4,7-Methano-5H-inden-5-one, octahydro-

HCID 96509CAS 13380-94-4

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1CC2CC1C1CCCC21
InChIKey: OMIDXVJKZCPKEI-UHFFFAOYSA-N
分子式: C10H14O
平均分子量: 150.22 g/mol
単同位体質量: 150.10446507

名称と識別子

優先名称: 4,7-Methano-5H-inden-5-one, octahydro-
IUPAC: tricyclo[5.2.1.02,6]decan-8-one
現地名: トリシクロ[5.2.1.0(2,6)]デカン-8-オン
英語名: TRICYCLO[5.2.1.02,6]DECAN-8-ONE
分子式: C10H14O
分子量: 150.22

名称と別名

4,7-Methano-5H-inden-5-one, octahydro-Tricyclo[5.2.1.02,6]decan-8-oneTricyclo(5.2.1.02,6)decane-8-oneEINECS 236-458-54,7-Methanoindan-5(4H)-one, tetrahydro-NSC 77098DTXSID90474638-Ketotricyclo(5.2.1.0(sup2,6))decaneTricyclo(5.2.1.02,6)decan-8-oneBRN 19079678-Oxotricyclo(5.2.1.0(sup2,6))decaneAI3-12157

名称をさらに表示

トリシクロ[5.2.1.0(2,6)]デカン-8-オントリシクロ[5.2.1.02,6]デカン-8-オンオクタヒドロ-4,7-メタノ-5H-インデン-5-オン4,7-メタノヒドリンダン-5-オンOctahydro-5H-4,7-methanoinden-5-oneCorodanetricyclodecane-8-oneTRICYCLO[5.2.1.0]DECAN-8-ONETricyclo[5.2.1.02.6]-8-decanoneTRICYCLO[5.2.1.02'6]DECAN-8-ONETricyclo[5.2.1.0(2,6)]decanone-8-Oxotricyclo[5.2.1.0(2,6)]decane

8-Oxotricyclo(5.2.1.0(sup 2,6))decane8-Ketotricyclo(5.2.1.0(sup 2,6))decaneTricyclo(5.2.1.0(sup 2,6))decan-8-oneDTXCID70274632-07-00-00133 (Beilstein Handbook Reference)Tricyclo[5.2.1.02,6]decane-8-one8-Ketotricyclo[5.2.1.0(sup2,6)]decane8-Oxotricyclo[5.2.1.0(sup2,6)]decane

データベース識別子

CAS: 13380-94-4
PubChem CID: 96509
DTXSID: DTXSID9047463
ChEMBL: CHEMBL3188674
EC Number: 236-458-5
Nikkaji: J48.660D

物性

構造計算による物性

XLogP: 2
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: 11
形式電荷: 0
複雑度: 209

実験および物理化学的性質

FragrancesFragrance Ingredient (Tricyclo[5.2.1.02,6]decan-8-one) -> IFRA transparency List

物理化学的性質

沸点: 132 °C · 132 °C / 30mmHg
比重(密度): 1.05 · 1.05
屈折率: 1.5 to · 1.5000 to 1.5030
闪点: 102 °C · 102 °C
貯蔵温度: 2 · Storage temp. 2-8°C
水溶解度: Slightly soluble in water
外見: clear liquid
色: Colorless to Almost colorless
化粧品成分の機能: 香料
LogP: 2.017 · 2.017 (est)
CAS データベース: 13380 · 13380-94-4
EPAの化学物質情報: 4 · 4,7-Methano-5H-inden-5-one, octahydro- (13380-94-4)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 86.1% (205 of 238) of all reports.

Warning

H302+H312 (12.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 238 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

Regulatory InformationChemical: 4,7-Methano-5H-inden-5-one, octahydro-

Other Safety InformationIMAP assessments - 4,7-Methano-5H-inden-5-one, octahydro-: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (13.4%)

安全データ

tsca: TSCA listed
rtecs: PC0350000
毒性: LD50 orl-rat: 710 mg/kg TXAPA9 28,313,74
hs_code: 2914.29.5000
消防法: 危-4-3-III

化学と産業

用途と製造

Use ClassificationFragrance Ingredients

General Manufacturing Information4,7-Methano-5H-inden-5-one, octahydro-: ACTIVE

応用分野 · 1 件

使用Octahydro-4,7-methano-5H-inden-5-one is a useful synthetic intermediate. It is used as a reagent to synthesize hindered olefins such as diamantanol. It can also be used as a reagent to enhance the glass transition temperature of polymethyl methacrylate (PMMA).