2-Ethylbutanal

C6H12OCAS 97-96-1100.16 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C6H12O
Molar mass
100.16 g/mol
Exact mass
100.0888 Da
Density
0.808–0.814 g/mL
Melting point
−89 °C
Boiling point
117–119 °C
Flash point
21.1 °C
logP
1.62Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 1,495 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
97-96-1
SMILES
CCC(C=O)CC
InChIKey
UNNGUFMVYQJGTD-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Butanal, 2-ethyl-
  • Butyraldehyde, 2-ethyl-
  • Butyraldehyde, α-ethyl-
  • Diethylacetaldehyde
  • α-Ethylbutyraldehyde
  • 2-Ethylbutyraldehyde
  • 2-Ethylbutyric aldehyde
  • 3-Formylpentane
  • α-Ethylbutanal
  • NSC 6757

Work with 2-Ethylbutanal

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-Ethylhexanal123-05-761 % similar 2-Methylbutanal96-17-352 % similar Cyclopropanecarboxaldehyde1489-69-650 % similar 2,3-Dimethylpentanal32749-94-346 % similar Cyclobutanecarboxaldehyde2987-17-945 % similar Cyclopentanecarboxaldehyde872-53-745 % similar Cyclohexanecarboxaldehyde2043-61-043 % similar Cyclooctanecarbaldehyde6688-11-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 2-Methylpentaldehyde123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0

Elsewhere

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