chempirical

Caprylic acid

C8H16O2CAS 124-07-2144.21 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C8H16O2
Molar mass
144.21 g/mol
Exact mass
144.1150 Da
Density
0.91 g/mL (at 20 °C)
Melting point
16.7 °C
Boiling point
239.7 °C
pKa
4.895 (25 °C)
Water solubility
< 1 g/L (17.8 °C)
logP
2.43Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Hazards

Danger
Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
124-07-2
SMILES
CCCCCCCC(=O)O
InChIKey
WWZKQHOCKIZLMA-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

22 names · show all
  • Octanoic acid
  • n-Caprylic acid
  • neo-Fat 8
  • 1-Heptanecarboxylic acid
  • n-Octoic acid
  • Octylic acid
  • n-Octylic acid
  • n-Octanoic acid
  • Lunac 8-95
  • NAA 82
  • Prifac 2901
  • Lunac 8-98
  • neo-Fat 8S
  • Kortacid 0899
  • Emery 657
  • NSC 5024
  • Edenor C 8-98-100
  • Cg 100 (fatty acid)
  • Cg 100
  • Edenor 8-99MY
  • Edenor C 8-99MY
  • MCFA 8S

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 124-07-2. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Caprylic acid

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Zinc octanoate557-09-5Salt Potassium octanoate764-71-6Salt Sodium octanoate1984-06-1Salt

Similar compounds

Pentadecylic acid1002-84-2100 % similar Enanthic acid111-14-8100 % similar Pelargonic acid112-05-0100 % similar Undecylic acid112-37-8100 % similar Behenic acid112-85-6100 % similar Lauric acid143-07-7100 % similar Heneicosylic acid2363-71-5100 % similar Tricosylic acid2433-96-7100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethylbutyl acetate10031-87-5 Cyclohexanedimethanol105-08-8 Isoamyl propionate105-68-0 1,1-Diethoxy-2-butene10602-34-3 Methyl heptanoate106-73-0 4-Methyl-2-pentyl acetate108-84-9 Butyl butyrate109-21-7 2-Methylheptanoic acid1188-02-9

Elsewhere

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