(2,3-dihydro-1H-inden-5-yl)methanol

HCID 330183CAS 51632-06-5

基本情報

標準SMILES: OCc1ccc2c(c1)CCC2
InChIKey: SJKGAFDWIVOCSE-UHFFFAOYSA-N
分子式: C10H12O
平均分子量: 148.2 g/mol
単同位体質量: 148.088815

名称と識別子

優先名称: (2,3-dihydro-1H-inden-5-yl)methanol
IUPAC: 2,3-dihydro-1H-inden-5-ylmethanol
英語名: 5-Hydroxymethylindane
分子式: C10H12O
分子量: 148.2

名称と別名

(2,3-dihydro-1H-inden-5-yl)methanolRefChem:394513988-537-55-Hydroxymethylindane51632-06-5Indan-5-yl-methanol2,3-dihydro-1H-inden-5-ylmethanolMFCD04038655indan-5-ylmethanol5-HydroxymethyLindanNSC317014(5-Indanyl)methanol

名称をさらに表示

5-(hydroxymethyl)indaneSCHEMBL1465705DTXSID70317495SJKGAFDWIVOCSE-UHFFFAOYSA-NBCA632062,3-Dihydro-1H-indene-5-methanolAKOS0093335311H-Indene-5-methanol, 2,3-dihydro-

データベース識別子

CAS: 51632-06-5
PubChem CID: 330183
DTXSID: DTXSID70317495
EC Number: 988-537-5

物性

構造計算による物性

XLogP: 1.9
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 133

物理化学的性質

融点: 73.5 · 73.5-74.5 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
沸点: 277.7 · 277.7±9.0 °C(Predicted)
比重(密度): 1.119 · 1.119±0.06 g/cm3(Predicted)
酸解離定数(Pka): 14.5 · 14.50±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.