7-Hydroxy-4-methyl-1-indanone

HCID 12436244CAS 67901-82-0

基本情報

標準SMILES: Cc1ccc(O)c2c1CCC2=O
InChIKey: FXEWVKMVYBQMET-UHFFFAOYSA-N
分子式: C10H10O2
平均分子量: 162.18 g/mol
単同位体質量: 162.06807956

名称と識別子

優先名称: 7-Hydroxy-4-methyl-1-indanone
IUPAC: 7-hydroxy-4-methyl-2,3-dihydroinden-1-one
英語名: 7-HYDROXY-4-METHYL-1-INDANONE 97
分子式: C10H10O2
分子量: 162.19

名称と別名

7-Hydroxy-4-methyl-1-indanoneRefChem:546566623-153-067901-82-07-Hydroxy-4-methyl-2,3-dihydro-1H-inden-1-one7-HYDROXY-4-METHYL-2,3-DIHYDROINDEN-1-ONEMFCD073697194-METHYL-7-HYDROXY-1-INDANONE7-Hydroxy-4-methylindanoneSCHEMBL9579265DTXSID60498202CS-W014322

名称をさらに表示

1111657-Hydroxy-4-methylindan-1-one4-Methyl-7-hydroxyindan-1-one7-Hydroxy-5-methyl-indan-1-one7-HYDROXY-4-METHYL-1-INDANONE 976-Hydroxy-2,3-dimethyl-benzaldehyde

7-Hydroxy-4-methyl-1-indanone, 97%AC-23410F19150AM1136FT-07323602,3-dihydro-7-hydroxy-4-methyl-1H-Inden-1-one7-hydroxy-4-methyl-indan-1-oneAKOS015842464

データベース識別子

CAS: 67901-82-0
PubChem CID: 12436244
DTXSID: DTXSID60498202
EC Number: 623-153-0

物性

構造計算による物性

XLogP: 2.2
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 200

物理化学的性質

融点: 109 · 109-112 °C (lit.)
沸点: 339.3 · 339.3±41.0 °C(Predicted)
比重(密度): 1.25 · 1.250±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
酸解離定数(Pka): 10.59 · 10.59±0.20(Predicted)
InChI: 1S/C10H10O2/c1-6-2-4-8(11)10-7(6)3-5-9(10)12/h2,4,11H,3,5H2,1H3
InChIKey: FXEWVKMVYBQMET-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c2C(=O)CCc12

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.