3,3-ジメチル-1-インダノン

3,3-Dimethyl-1-indanone

HCID 304628CAS 26465-81-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1(C)CC(=O)c2ccccc21
InChIKey: QWZAOSKLFKAEOK-UHFFFAOYSA-N
分子式: C11H12O
平均分子量: 160.21 g/mol
単同位体質量: 160.088815

名称と識別子

優先名称: 3,3-Dimethyl-1-indanone
IUPAC: 3,3-dimethyl-2H-inden-1-one
現地名: 3,3-ジメチル-1-インダノン
英語名: 3,3-Dimethyl-1-indanone
分子式: C11H12O
分子量: 160.21

名称と別名

26465-81-63,3-Dimethyl-1-indanone3,3-dimethyl-2,3-dihydro-1H-inden-1-oneDTXSID70307972RefChem:485456DTXCID80259099866-519-71H-Inden-1-one, 2,3-dihydro-3,3-dimethyl-3,3-dimethyl-2H-inden-1-one3,3-dimethylindan-1-oneMFCD018461693,3-Dimethyl-indan-1-one

名称をさらに表示

3,3-ジメチル-1-インダノン1,1-ジメチル-1H-インデン-3(2H)-オン3,3-ジメチル-2,3-ジヒドロ-1H-インデン-1-オン3,3-ジメチルインダン-1-オン1,1-ジメチルインダン-3-オンAKOS BC-03963,3-Dimethyl-1-indanone>3,3-dimethyl-2H-inden-1-one1,1-Dimethyl-1H-indene-3(2H)-one1H-Inden-1-one,2,3-dihydro-3,3-di-3,3-Dimethyl-2,3-dihydro-1H-inden-1-on3,3-dimethyl-2,3-dihydro-1H-inde-1-one

3,3-Dimethyl 1-Indanone3,3-dimethyl indan-1-one1-Indanone, 3,3-dimethyl-3,3-dimethylindanone3,3-dimethyl-1-indanone, AldrichCPRNSC-200698SY0534291H-Inden-1-one,3-dihydro-3,3-dimethyl-

データベース識別子

CAS: 26465-81-6
PubChem CID: 304628
DTXSID: DTXSID70307972
UNII: AMY99K3WHC
EC Number: 866-519-7
Nikkaji: J133.522G

物性

構造計算による物性

XLogP: 2.5
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: 12
形式電荷: 0
複雑度: 205

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

沸点: 122 °C · 122 °C / 16mmHg
比重(密度): 1.03 · 1.03
屈折率: 1.541 · 1.5410-1.5450
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: clear liquid
色: Light yellow to Brown
InChI: InChI=1S/C11H12O/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
InChIKey: QWZAOSKLFKAEOK-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(C)(C)C1
LogP: 3.13 · 3.130 (est)

化学的性質

化学的特性Colorless Liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesSkin Irrit. 2 (50%)

安全データ

hs_code: 2914390090
risk_code: 52
消防法: 危-4-3-III

化学と産業

応用分野

使用3,3-Dimethyl 1-indanone is used as a reagent to synthesize Indole (I577320) and Indoline (I627200) chromophores, compounds that have potential antioxidant properties. 3,3-Dimethyl 1-indanone is also a component of cigarette tobacco.