Heptanal

C7H14OCAS 111-71-7114.19 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C7H14O
Molar mass
114.19 g/mol
Exact mass
114.1045 Da
Density
0.8216 g/mL (at 15 °C)
Melting point
−43.3 °C
Boiling point
152.8 °C
Flash point
48 °C (closed cup)
Water solubility
1.25 g/L (25 °C)
logP
2.16Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 1,692 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
111-71-7
SMILES
CCCCCCC=O
InChIKey
FXHGMKSSBGDXIY-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3

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Names and synonyms

16 names · show all
  • Enanthal
  • Enanthaldehyde
  • Enanthole
  • Heptaldehyde
  • Heptyl aldehyde
  • Oenanthal
  • Oenanthaldehyde
  • Oenanthic aldehyde
  • Oenanthol
  • Enanthic aldehyde
  • n-Heptylaldehyde
  • n-Heptanal
  • n-Heptaldehyde
  • Heptanaldehyde
  • 1-Heptaldehyde
  • NSC 2190

Reactions

Work with Heptanal

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

Tridecanal10486-19-8100 % similar Decanal112-31-2100 % similar Undecanal112-44-7100 % similar Dodecanal112-54-9100 % similar Octanal124-13-0100 % similar Nonanal124-19-6100 % similar Myristyl aldehyde124-25-4100 % similar Hexanal66-25-194 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexylmethanol100-49-2 3-Heptanone106-35-4 5-Methyl-2-hexanone110-12-3 2-Heptanone110-43-0 4-Heptanone123-19-3 1-Ethylcyclopentanol1462-96-0 2,3-Dimethylpentanal32749-94-3 2-Heptenol33467-76-4

Elsewhere

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