1インダノ-ル

1-Indanol

HCID 22819CAS 36643-74-0

基本情報

標準SMILES: OC1CCc2ccccc21
InChIKey: YIAPLDFPUUJILH-UHFFFAOYSA-N
分子式: C9H10O
平均分子量: 134.17 g/mol
単同位体質量: 134.07316494

概要

Indan-1-ol is an aromatic alcohol, a secondary alcohol and a member of indanes. It has a role as a xenobiotic. It derives from a hydride of an indane.

名称と識別子

優先名称: 1-Indanol
IUPAC: 2,3-dihydro-1H-inden-1-ol
現地名: 1インダノ-ル
英語名: indanol
分子式: C9H10O
分子量: 134.1751

名称と別名

1-INDANOL2,3-Dihydro-1H-inden-1-ol6351-10-6Indan-1-ol1H-Inden-1-ol, 2,3-dihydro-LHG5BD7LORNSC-31258CHEBI:16697RefChem:433219228-755-3Indanol1-Hydroxyindane

名称をさらに表示

1インダノ-ル

1-Hydroxyhydrindene1-Hydroxyindan(+/-)-1-IndanolMFCD0000379736643-74-01H-Indenol, 2,3-dihydro-EINECS 253-146-4Indan-1-ol (1-Indanol)

データベース識別子

CAS: 36643-74-0、6351-10-6
PubChem CID: 22819
DTXSID: DTXSID10871162
ChEMBL: CHEMBL4564909
ChEBI: CHEBI:16697
UNII: LHG5BD7LOR
EC Number: 228-755-3、253-146-4
Nikkaji: J113.866I

物性

構造計算による物性

XLogP: 1.5
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: 0
重原子数: 10
形式電荷: 0
複雑度: 122

実験および物理化学的性質

Physical DescriptionSolid

物理化学的性質

Dielectric constant: 7.8 · 7.8(60℃)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (91.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information1H-Inden-1-ol, 2,3-dihydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (91.5%)