chempirical

2-Heptanone

C7H14OCAS 110-43-0114.19 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C7H14O
Molar mass
114.19 g/mol
Exact mass
114.1045 Da
Density
0.8068 g/mL (at 30 °C)
Melting point
−35.5 °C
Boiling point
111 °C (at 21 Torr)
Flash point
38.9 °C (closed cup)
Water solubility
4.3 g/L
logP
2.16Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, P501

Identifiers

CAS number
110-43-0
SMILES
CCCCCC(C)=O
InChIKey
CATSNJVOTSVZJV-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Amyl methyl ketone
  • n-Amyl methyl ketone
  • Methyl amyl ketone
  • Methyl n-amyl ketone
  • Methyl pentyl ketone
  • Pentyl methyl ketone
  • Butylacetone
  • n-Pentyl methyl ketone
  • Methyl n-pentyl ketone
  • 1-Methylhexanal
  • 2-Oxoheptane
  • NSC 7313
  • MAK

Reactions

Work with 2-Heptanone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Octanone111-13-795 % similar 2-Undecanone112-12-995 % similar 2-Tetradecanone2345-27-995 % similar 2-Pentadecanone2345-28-095 % similar 2-Tridecanone593-08-895 % similar 2-Dodecanone6175-49-195 % similar 2-Nonadecanone629-66-395 % similar 2-Decanone693-54-995 % 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 Heptanal111-71-7 4-Heptanone123-19-3 1-Ethylcyclopentanol1462-96-0 2,3-Dimethylpentanal32749-94-3 trans-2-Hepten-1-ol33467-76-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia