chempirical

Dodecyl acetate

C14H28O2CAS 112-66-3228.38 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C14H28O2
Molar mass
228.38 g/mol
Exact mass
228.2089 Da
Density
0.8589 g/mL (at 25 °C)
Melting point
1.3 °C
Boiling point
265 °C
logP
4.47Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
11

Hazards

Not classified as hazardous under GHS by 1,592 ECHA notifiers. Aggregated from 1,592 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
112-66-3
SMILES
CCCCCCCCCCCCOC(C)=O
InChIKey
VZWGRQBCURJOMT-UHFFFAOYSA-N
InChI
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Acetic acid, dodecyl ester
  • Dodecyl alcohol acetate
  • 1-Dodecanol acetate
  • Lauryl acetate
  • Dodecan-1-yl acetate
  • Dodecanol acetate
  • Dodecanyl acetate
  • 1-Dodecyl acetate
  • n-Dodecyl acetate
  • Okimelanolure
  • NSC 67366

Work with Dodecyl 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 Hexyl acetate142-92-7100 % 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

Ethyl dodecanoate106-33-2 Methyl tridecanoate1731-88-0 Butyl decanoate30673-36-0 Myristic acid544-63-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia