Caproic acid

C6H12O2CAS 142-62-1116.16 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
Density
0.929 g/mL (at 20 °C)
Melting point
−3.4 °C
Boiling point
205.8 °C
pKa
4.88
Flash point
102 °C (open cup)
Water solubility
11 g/L (20 °C)
logP
1.65Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

Aggregated from 2,136 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, P405, P501

Identifiers

CAS number
142-62-1
SMILES
CCCCCC(=O)O
InChIKey
FUZZWVXGSFPDMH-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

15 names · show all
  • Hexanoic acid
  • NSC 35598
  • NSC 8266
  • NAA 60
  • Butylacetic acid
  • Capronic acid
  • n-Hexoic acid
  • n-Hexanoic acid
  • Pentylformic acid
  • n-Caproic acid
  • n-Hexylic acid
  • 1-Pentanecarboxylic acid
  • Hexoic acid
  • 1-Hexanoic acid
  • Hexylic acid

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 142-62-1. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Caproic 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.

Sodium hexanoate10051-44-2Salt

Similar compounds

Pentadecylic acid1002-84-295 % similar Enanthic acid111-14-895 % similar Pelargonic acid112-05-095 % similar Undecylic acid112-37-895 % similar Behenic acid112-85-695 % similar Caprylic acid124-07-295 % similar Lauric acid143-07-795 % similar Heneicosylic acid2363-71-595 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia