Pivaldehyde

C5H10OCAS 630-19-386.13 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C5H10O
Molar mass
86.13 g/mol
Exact mass
86.0732 Da
Density
0.771 g/mL (at 20 °C)
Melting point
6 °C
Boiling point
77.5 °C
logP
1.23Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
630-19-3
SMILES
CC(C)(C)C=O
InChIKey
FJJYHTVHBVXEEQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3

Weigh it out

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

Names and synonyms

17 names · show all
  • Propanal, 2,2-dimethyl-
  • Pivalaldehyde
  • 2,2-Dimethylpropanal
  • Trimethylacetaldehyde
  • Neopentanal
  • Pivalic aldehyde
  • 2,2-Dimethylpropionaldehyde
  • α,α-Dimethylpropionaldehyde
  • α,α-Dimethylpropanal
  • tert-Valeraldehyde
  • Neopentaldehyde
  • tert-Butylformaldehyde
  • 2,2-Dimethylpropanaldehyde
  • tert-Pentanal
  • NSC 22043
  • tert-Butyraldehyde
  • 2,2′-Dimethylpropanal

Work with Pivaldehyde

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

Hydroxypivaldehyde597-31-936 % similar 3-Methyloxetane-3-carbaldehyde99419-31-536 % similar Chloral75-87-635 % similar Bromal115-17-333 % similar 2,2-Dimethyl-4-pentenal5497-67-633 % similar Neohexene558-37-233 % similar 2,4,4-Trimethyl-2-pentene107-40-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Pentanone107-87-9 Pentanal110-62-3 2-Methyl-3-buten-2-ol115-18-4 Tetrahydropyran142-68-7 (+-)-3-Penten-2-ol1569-50-2 cis-2-Penten-1-ol1576-95-0 2-Cyclopropylethanol2566-44-1 1-Methylcyclopropanemethanol2746-14-7

Elsewhere

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