Isobutyrophenone

C10H12OCAS 611-70-1148.20 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C10H12O
Molar mass
148.20 g/mol
Exact mass
148.0888 Da
Density
0.999 g/mL (at 40 °C)
Melting point
−1.3 °C
Boiling point
220 °C
logP
2.53Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 152 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
611-70-1
SMILES
CC(C)C(=O)c1ccccc1
InChIKey
BSMGLVDZZMBWQB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Propanone, 2-methyl-1-phenyl-
  • 2-Methyl-1-phenyl-1-propanone
  • Isopropyl phenyl ketone
  • 2-Methylpropiophenone
  • α-Methylpropiophenone
  • Phenyl isopropyl ketone
  • 1-Phenyl-2-methyl-1-propanone
  • 2-Methyl-1-phenylpropanone
  • NSC 6552

Work with Isobutyrophenone

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

α-Bromopropiophenone2114-00-363 % similar 2-Fluoro-1-phenylpropan-1-one21120-36-561 % similar 2-Chloro-1-phenyl-1-propanone6084-17-961 % similar (+)-Methcathinone160977-88-857 % similar Phenylglyoxal1075-06-556 % similar 2,2-Dichloroacetophenone2648-61-556 % similar Benzoylcyclopropane3481-02-556 % similar 2-Benzoyl-1H-indene-1,3(2H)-dione1785-95-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Phenyl-2-butanone1007-32-5 Anethole104-46-1 5,6,7,8-Tetrahydro-2-naphthol1125-78-6 Cuminaldehyde122-03-2 Estragole140-67-0 Allyl benzyl ether14593-43-2 1-(4-Methylphenyl)propan-2-one2096-86-8 2',3'-Dimethylacetophenone2142-71-4

Elsewhere

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