chempirical

Hexyl acetate

C8H16O2CAS 142-92-7144.21 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C8H16O2
Molar mass
144.21 g/mol
Exact mass
144.1150 Da
Density
0.8779 g/mL (at 15 °C)
Melting point
−80.9 °C
Boiling point
171.5 °C
logP
2.13Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
142-92-7
SMILES
CCCCCCOC(C)=O
InChIKey
AOGQPLXWSUTHQB-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Acetic acid, hexyl ester
  • Hexyl alcohol, acetate
  • Hexyl ethanoate
  • n-Hexyl acetate
  • 1-Hexyl acetate
  • Exceed 600
  • NSC 7323
  • n-Hexyl ethanoate
  • Hexyl ester acetic acid
  • ZED-N 60

Work with Hexyl acetate

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

Heptyl acetate112-06-1100 % similar Octyl acetate112-14-1100 % similar Decyl acetate112-17-4100 % similar Dodecyl acetate112-66-3100 % similar Nonyl acetate143-13-5100 % similar Octadecyl acetate822-23-1100 % similar Amyl acetate628-63-796 % similar Butyl acetate123-86-483 % 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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