HCID4251244

2-(4-Isobutyrylphenyl)propane

2-methyl-1-(4-propan-2-ylphenyl)propan-1-one

C13H18O190.28 g/molCAS 72846-62-9

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IDENTITY

结构与身份

标准SMILES: CC(C)C(=O)c1ccc(C(C)C)cc1
InChIKey: KJOFMRLNOMBWIM-UHFFFAOYSA-N
分子式: C13H18O
平均分子量: 190.28 g/mol
单同位素质量: 190.13576519

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 3
重原子: 14
形式电荷: 0
复杂度: 185

GHS

GHS分类

GHS Classification

Warning

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

P264, P270, P301+P317, P330, 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.

ALIASES

名称与别名

共 21 条

72846-62-92-(4-ISOBUTYRYLPHENYL)PROPANE1-(4-isopropylphenyl)-2-methylpropan-1-one2-methyl-1-(4-propan-2-ylphenyl)propan-1-one4'-iso-Propyl-2-methylpropiophenoneMFCD010958361-(4-isopropylphenyl)-2-methyl-1-propanone2-methyl-1-[4-(propan-2-yl)phenyl]propan-1-one2-methyl-1-[4-(methylethyl)phenyl]propan-1-one4-IsopropylisobutyrophenonSCHEMBL195312DTXSID80401233KJOFMRLNOMBWIM-UHFFFAOYSA-NSBB056542AKOS009164686DA-20047CS-0357853ST509735481-(4-isopropylphenyl)-2-methyl-propan-1-oneF395182

REACTIONS