1-Phenyl-2-butanone

C₁₀H₁₂OCAS 1007-32-5148.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂O
Molar mass: 148.20 g/mol
Exact mass: 148.0888 Da
Density: 1.002 g/mL (at 40 °C)
Melting point: 72–73 °C
Boiling point: 230 °C
logP: 2.21Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

1007-32-5

SMILES

CCC(=O)Cc1ccccc1

InChIKey

GKDLTXYXODKDEA-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

2-Butanone, 1-phenyl-
Benzyl ethyl ketone
Ethyl benzyl ketone
NSC 133447

Work with 1-Phenyl-2-butanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibenzyl ketone102-04-571 % similar 1-Phenyl-2-hexanone25870-62-661 % similar 4-Methyl-1-phenyl-2-pentanone5349-62-258 % similar Phenylacetone103-79-752 % similar 1-Phenyl-3-hexanone29898-25-750 % similar Ethyl phenylacetate101-97-348 % similar Benzyl propionate122-63-448 % similar 2-Phenethyl propionate122-70-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Anethole104-46-1 5,6,7,8-Tetrahydro-2-naphthol1125-78-6 Cuminaldehyde122-03-2 Estragole140-67-0 Allyl benzyl ether14593-43-2 1-(2,5-Dimethylphenyl)ethanone2142-73-6 Benzylacetone2550-26-7 4-Propylbenzaldehyde28785-06-0

Elsewhere

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