chempirical

Butyl laurate

C16H32O2CAS 106-18-3256.43 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C16H32O2
Molar mass
256.43 g/mol
Exact mass
256.2402 Da
Density
0.8593 g/mL (at 20 °C)
Boiling point
145 °C (at 3 Torr)
logP
5.25Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
13

Identifiers

CAS number
106-18-3
SMILES
CCCCCCCCCCCC(=O)OCCCC
InChIKey
NDKYEUQMPZIGFN-UHFFFAOYSA-N
InChI
InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Dodecanoic acid, butyl ester
  • Lauric acid, butyl ester
  • Butyl dodecanoate
  • NSC 3920

Work with Butyl laurate

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

Butyl myristate110-36-1100 % similar Butyl palmitate111-06-8100 % similar Butyl stearate123-95-5100 % similar Butyl decanoate30673-36-0100 % similar Butyl octanoate589-75-3100 % similar Dibutyl sebacate109-43-396 % similar Dibutyl azelate2917-73-996 % similar Butyl hexanoate626-82-496 % similar

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

Same formula

Ethyl myristate124-06-1 2-Hexyldecanoic acid25354-97-6 Palmitic acid57-10-3 Methyl pentadecanoate7132-64-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook