2-Cyclohexenone, 5,5-dimethyl-

HCID 138322

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基本情報

CAS: 4694-17-1
標準SMILES: CC1(C)CC=CC(=O)C1
InChIKey: CDDGRARTNILYAB-UHFFFAOYSA-N
分子式: C8H12O
平均分子量: 124.18 g/mol
単同位体質量: 124.088815

名称と識別子

優先名称: 2-Cyclohexenone, 5,5-dimethyl-
IUPAC: 5,5-dimethylcyclohex-2-en-1-one
英語名: 5,5-dimethylcyclohex-2-en-1-one
分子式: C8H12O
分子量: 124.18

名称と別名

4694-17-15,5-dimethylcyclohex-2-en-1-one2-Cyclohexenone, 5,5-dimethyl-DTXSID80196990RefChem:470900DTXCID20119481973-614-85,5-Dimethylcyclohex-2-enone2-Cyclohexen-1-one, 5,5-dimethyl-MFCD00182488SCHEMBL233223SCHEMBL318228

名称をさらに表示

SKL1285,5-dimethyl-cyclohex-2-enone5,5-dimethylcyclo-hex-2-enone5,5-dimethylcyclohex-2-en-oneCDDGRARTNILYAB-UHFFFAOYSA-N5.5-Dimethylcyclohex-2-en-1-oneEAA694173,3-dimethyl-cyclohex-5-en-1-one

データベース識別子

CAS: 4694-17-1
PubChem CID: 138322
DTXSID: DTXSID80196990
EC Number: 973-614-8
Nikkaji: J313.402D

物性

構造計算による物性

XLogP: 1.7
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 154

物理化学的性質

沸点: 76 °C · 76 °C(Press: 16 Torr)
比重(密度): 0.922 · 0.922±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, 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.