2-メチル-1-インダノン

2-Methylindanone

HCID 249262CAS 17496-14-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1Cc2ccccc2C1=O
InChIKey: BEKNOGMQVKBMQN-UHFFFAOYSA-N
分子式: C10H10O
平均分子量: 146.19 g/mol
単同位体質量: 146.07316494

名称と識別子

優先名称: 2-Methylindanone
IUPAC: 2-methyl-2,3-dihydroinden-1-one
現地名: 2-メチル-1-インダノン
英語名: 2-METHYL-1-INDANONE
分子式: C10H10O
分子量: 146.19

名称と別名

2-Methyl-1-indanone2-Methyl-indan-1-one2-methylindanone1H-Inden-1-one, 2,3-dihydro-2-methyl-NSC-67345OS704F44DRDTXSID30290210RefChem:476092DTXCID602413562-METHYLINDANONE, (+-)-605-746-617496-14-9

名称をさらに表示

2-メチル-1-インダノン2-メチルインダン-1-オン2-メチル-2,3-ジヒドロ-1H-インデン-1-オン2-METHYL-INDANONE2-METHYL-1-INDANONE 97%(R,S)-2-Methyl-indan-1-one2,3-Dihydro-2-methyl-1H-inden-1-one, 1-Oxo-2-methylindane

2-Methyl-2,3-dihydro-1H-inden-1-one2-methylindan-1-one2-methyl-2,3-dihydroinden-1-oneMFCD001923032,3-Dihydro-2-methyl-1H-inden-1-one2-methyl-1-indanonNSC67345NCIOpen2_000118

データベース識別子

CAS: 17496-14-9
PubChem CID: 249262
DTXSID: DTXSID30290210
ChEMBL: CHEMBL155191
UNII: OS704F44DR
EC Number: 605-746-6
Nikkaji: J460.216A

物性

構造計算による物性

XLogP: 2.2
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: 174

物理化学的性質

融点: 47 · 47-47.5 °C
沸点: 93 · 93-95 °C4 mm Hg(lit.)
比重(密度): 1.064 g/mL · 1.064 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.555(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: liquid
色: Yellow
InChI: InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3
InChIKey: BEKNOGMQVKBMQN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)CC1C

化学的性質

化学的特性Pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 3 reports by companies from 3 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 (33.3%)

安全データ

wgk: 3
hs_code: 2914390090
risk_code: 22-36/37/38
hazard_code: Xi,Xn
safety_code: 23-26-36/37/39-36
hazard_class: IRRITANT
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用2-Methyl-1-indanone may be used as a starting material in the synthesis of β-benzocycloalkenone. It may be used in the synthesis of the following:cyclohex-2-en-1-yl 2-methyl-1H-inden-3-yl carbonate2-hydroxy-2-methyl-1-indanoneO-alkoxycarbonylation of lithium enolates

一般的な説明2-Methyl-1-indanone, a α-benzocycloalkenone, is a derivative of 1-indanone. Its synthesis has been reported. The enzymatic dynamic kinetic resolution (DKR) of racemic 2-methyl-1-indanone has been studied. The asymmetric α-arylation and hydroxymethylation of 2-methyl-1-indanone has been reported. It participated in the synthesis of 2-methyl-6-carboxyazulene.