1-(4-Tert-butylcyclohexyl)ethan-1-one

HCID 519151CAS 19091-09-9

基本情報

標準SMILES: CC(=O)C1CCC(C(C)(C)C)CC1
InChIKey: YMGRIFHYJBXCDV-UHFFFAOYSA-N
分子式: C12H22O
平均分子量: 182.3 g/mol

名称と識別子

優先名称: 1-(4-Tert-butylcyclohexyl)ethan-1-one
IUPAC: 1-(4-tert-butylcyclohexyl)ethanone

名称と別名

19091-09-91-(4-Tert-butylcyclohexyl)ethan-1-oneRefChem:426035995-492-51-(4-(tert-Butyl)cyclohexyl)ethanone1-[4-(1,1-Dimethylethyl)cyclohexyl]ethanonecis-4-Tert-butylcyclohexyl methyl ketoneSCHEMBL1835031SCHEMBL1835036SCHEMBL11452519YMGRIFHYJBXCDV-PHIMTYICSA-NYMGRIFHYJBXCDV-XYPYZODXSA-N

名称をさらに表示

cis-1-acetyl-4-t-butylcyclohexanetrans-1-Acetyl-4-t-butylcyclohexaneAKOS0147365341-(trans-4-tert-butyl-cyclohexyl)-ethanoneKetone, 4-tert-butylcyclohexyl methyl, trans-

データベース識別子

CAS: 19091-09-9
PubChem CID: 519151
EC Number: 995-492-5

物性

構造計算による物性

XLogP: 3.5
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: 2
重原子数: 13
形式電荷: 0
複雑度: 180

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)