CAS 135761-76-1 2-(1,4-Dioxaspiro(4.5)decan-8-yl)ethan-1-ol (HCID 11805458)

基本情報

CAS: 135761-76-1
標準SMILES: OCCC1CCC2(CC1)OCCO2
InChIKey: TXUGEISFHODXQL-UHFFFAOYSA-N
分子式: C10H18O3
平均分子量: 186.25 g/mol
単同位体質量: 186.12559444

名称と識別子

優先名称: 2-(1,4-Dioxaspiro(4.5)decan-8-yl)ethan-1-ol
IUPAC: 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol
現地名: 2-(1,4-ジオキサスピロ[4.5]デカン-8-イル)エタノール
英語名: 2-(1,4-Dioxa-spiro[4.5]dec-8-yl)-ethanol
分子式: C10H18O3
分子量: 186.25

名称と別名

2-{1,4-dioxaspiro[4.5]decan-8-yl}ethan-1-ol2-(1,4-Dioxaspiro[4.5]decan-8-yl)ethan-1-ol2-(1,4-Dioxaspiro(4.5)decan-8-yl)ethan-1-olRefChem:450488874-832-5135761-76-12-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol1,4-Dioxaspiro[4.5]decane-8-ethanolMFCD077794362-(1,4-Dioxa-spiro[4.5]dec-8-yl)-ethanolPS-166982-(1,4-Dioxaspiro[4.5]dec-8-yl)ethanol

名称をさらに表示

2-(1,4-ジオキサスピロ[4.5]デカン-8-イル)エタノール

2-(1,4-Dioxa-spiro[4.5]dec-8-yl)ethanol2-(1,4-Dioxaspiro[4.5]decan-8-yl) ethanolSCHEMBL1024122-(1,4-Dioxaspiro[4.5]DTXSID80473076TXUGEISFHODXQL-UHFFFAOYSA-NKFA76176AKOS006286382

データベース識別子

CAS: 135761-76-1
PubChem CID: 11805458
DTXSID: DTXSID80473076
EC Number: 874-832-5

物性

構造計算による物性

XLogP: 0.8
極性表面積: 38.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 154

物理化学的性質

沸点: 297.9 · 297.9±15.0 °C(Predicted)
比重(密度): 1.11 · 1.11±0.1 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 15.12 · 15.12±0.10(Predicted)

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.