2,2-Dimethyl-1-phenyl-1-propanone

C11H14OCAS 938-16-9162.23 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C11H14O
Molar mass
162.23 g/mol
Exact mass
162.1045 Da
Density
1.016 g/mL (at 20 °C)
Boiling point
220 °C
logP
2.92Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 79 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
938-16-9
SMILES
CC(C)(C)C(=O)c1ccccc1
InChIKey
OECPUBRNDKXFDX-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

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

Names and synonyms

9 names
  • 1-Propanone, 2,2-dimethyl-1-phenyl-
  • Pivalophenone
  • tert-Butyl phenyl ketone
  • Phenyl tert-butyl ketone
  • 2,2-Dimethylpropiophenone
  • α,α-Dimethylpropiophenone
  • 2,2,2-Trimethylacetophenone
  • 1-Phenyl-2,2-dimethyl-1-propanone
  • α,α,α-Trimethylacetophenone

Reactions

Work with 2,2-Dimethyl-1-phenyl-1-propanone

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

2-Bromoisobutyrophenone10409-54-861 % similar 2-Hydroxy-2-methyl-1-phenylpropan-1-one7473-98-561 % similar 2,2-Dimethyl-1-phenylbutan-1-one829-10-757 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-756 % similar 1,2,2,2-Tetraphenylethanone466-37-556 % similar 2,2-Dimethoxy-2-phenylacetophenone24650-42-850 % similar 2-Chloro-2,2-difluoroacetophenone384-67-850 % similar 2,2,3,3,3-Pentafluoro-1-phenylpropan-1-one394-52-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Valerophenone1009-14-9 4-Butylbenzaldehyde1200-14-2 2′,4′,6′-Trimethylacetophenone1667-01-2 2'-Ethylpropiophenone16819-79-7 1-(2,4,5-Trimethylphenyl)ethanone2040-07-5 Allyl alcohol-styrene copolymer25119-62-4 4'-Ethylpropiophenone27465-51-6 3-Methyl-1-phenyl-2-butanone2893-05-2

Elsewhere

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