Isobutyraldehyde

C4H8OCAS 78-84-272.11 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C4H8O
Molar mass
72.11 g/mol
Exact mass
72.0575 Da
Density
0.7938 g/mL (at 20 °C)
Melting point
−65.9 °C
Boiling point
64 °C
Water solubility
89 g/L
logP
0.84Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 4,104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, P501

Identifiers

CAS number
78-84-2
SMILES
CC(C)C=O
InChIKey
AMIMRNSIRUDHCM-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

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Names and synonyms

17 names · show all
  • Propanal, 2-methyl-
  • 2-Methylpropanal
  • Isobutanal
  • Isobutyric aldehyde
  • 2-Methylpropionaldehyde
  • Isobutyryl aldehyde
  • Isopropylformaldehyde
  • iso-Butyraldehyde
  • α-Methylpropionaldehyde
  • 2-Methyl-1-propanal
  • Isobutyral
  • 2-Formylpropane
  • Dimethylacetaldehyde
  • Isopropylcarboxaldehyde
  • NSC 6739
  • 2-Propanecarboxaldehyde
  • Isobutyroaldehyde

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 78-84-2. Each row opens the sheet with its composition and PDF.

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Work with Isobutyraldehyde

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

Formaldehyde-isobutyraldehyde-urea copolymer28931-47-741 % similar 2-Methylbutanal96-17-338 % similar Dichloroacetaldehyde79-02-735 % similar Diisopropylformamide2700-30-335 % similar 2,2-Dimethoxyacetaldehyde51673-84-835 % similar 2-Ethylbutanal97-96-135 % similar 2-Methylpentaldehyde123-15-935 % similar Cyclopropanecarboxaldehyde1489-69-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Epoxybutane106-88-7 Ethyl vinyl ether109-92-2 Tetrahydrofuran109-99-9 2-Methoxypropene116-11-0 Butyraldehyde123-72-8 Deuterated thf1693-74-9 cis-2,3-Epoxybutane1758-33-4 trans-2,3-Dimethyloxirane21490-63-1

Elsewhere

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