Octanal

C8H16OCAS 124-13-0128.22 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C8H16O
Molar mass
128.22 g/mol
Exact mass
128.1201 Da
Density
0.821 g/mL (at 20 °C)
Melting point
−23 °C
Boiling point
163.4 °C
Flash point
51.7 °C
Water solubility
slightly soluble
logP
2.55Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 1,971 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P501

Identifiers

CAS number
124-13-0
SMILES
CCCCCCCC=O
InChIKey
NUJGJRNETVAIRJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3

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Names and synonyms

15 names · show all
  • Antifoam LF
  • Caprylaldehyde
  • Caprylic aldehyde
  • Octaldehyde
  • n-Octanal
  • n-Octylal
  • n-Caprylaldehyde
  • n-Octaldehyde
  • Octanoic aldehyde
  • Octanaldehyde
  • Octylaldehyde
  • n-Octyl aldehyde
  • Aldehyde C 8
  • NSC 1508
  • NSC 8969

Reactions

Work with Octanal

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 Heptanal111-71-7100 % similar Decanal112-31-2100 % similar Undecanal112-44-7100 % similar Dodecanal112-54-9100 % 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

3-Octanone106-68-3 2-Octanone111-13-7 1-Cyclohexylethanol1193-81-3 2-Ethylhexanal123-05-7 2-Methyl-3-heptanone13019-20-0 2,2,5,5-Tetramethyltetrahydrofuran15045-43-9 (E)-2-Octen-1-ol18409-17-1 1-Ethylcyclohexanol1940-18-7

Elsewhere

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