CAS 118135-28-7 2-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro(4.5)decan (HCID 14326294)

基本情報

CAS: 118135-28-7
標準SMILES: CC(C)(C)C1CCC2(CC1)OCC(CCl)O2
InChIKey: KIXLXDKXQXRUSB-UHFFFAOYSA-N
分子式: C13H23ClO2
平均分子量: 246.77 g/mol
単同位体質量: 246.13865766

名称と識別子

優先名称: 2-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro(4.5)decan
IUPAC: 8-tert-butyl-3-(chloromethyl)-1,4-dioxaspiro[4.5]decane
英語名: 2-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decan
分子式: C13H23ClO2
分子量: 246.77

名称と別名

DTXSID601010218EC 601-507-52-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro(4.5)decan2-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decanRefChem:468198DTXCID301436627601-507-5118135-28-78-tert-butyl-3-(chloromethyl)-1,4-dioxaspiro[4.5]decane8-(tert-butyl)-2-(chloromethyl)-1,4-dioxaspiro[4.5]decane8-t-Butyl-2-chloromethyl-1,4-dioxaspiro[4.5]decaneSCHEMBL8798930

名称をさらに表示

1,4-Dioxaspiro[4.5]decane, 2-(chloromethyl)-8-(1,1-dimethylethyl)-

KIXLXDKXQXRUSB-UHFFFAOYSA-N8-TERT-BUTYL-2-(CHLOROMETHYL)-1,4-DIOXASPIRO[4.5]DECANEAKOS021093416NS000023828-t-butyl-2-chloromethyl-1,4-dioxaspiro(4,5)decane2-(Chloromethyl)-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decane

データベース識別子

CAS: 118135-28-7
PubChem CID: 14326294
DTXSID: DTXSID601010218
EC Number: 601-507-5

物性

構造計算による物性

XLogP: 3.5
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 239

物理化学的性質

沸点: 295.6 ℃ · 295.6℃ at 101.3kPa
比重(密度): 1.07 g/cm3 · 1.07g/cm3 at 20℃
蒸気圧: 0.13 · 0.13-3Pa at 20-50℃
溶解性: soluble in Ethyl Acetate
外見: Oil
色: Colorless
LogP: 4.43 · 4.43-4.49 at 20℃ and pH4-9

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.