chempirical

Ethyl dodecanoate

C14H28O2CAS 106-33-2228.38 g/mol

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OO
Ester

Properties

Molecular formula
C14H28O2
Molar mass
228.38 g/mol
Exact mass
228.2089 Da
Density
0.866 g/mL (at 15 °C)
Melting point
−10 °C
Boiling point
271 °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 1,659 ECHA notifiers. Aggregated from 1,659 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
106-33-2
SMILES
CCCCCCCCCCCC(=O)OCC
InChIKey
MMXKVMNBHPAILY-UHFFFAOYSA-N
InChI
InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3

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

Names and synonyms

9 names
  • Dodecanoic acid, ethyl ester
  • Lauric acid, ethyl ester
  • Ethyl dodecylate
  • Ethyl laurate
  • Ethyl laurinate
  • Ethyl n-dodecanoate
  • NSC 83467
  • NSC 8912
  • Dodecanoic acid monoethyl ester

Work with Ethyl dodecanoate

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

Ethyl heptanoate106-30-9100 % similar Ethyl octanoate106-32-1100 % similar Ethyl decanoate110-38-3100 % similar Ethyl stearate111-61-5100 % similar Ethyl nonanoate123-29-5100 % similar Ethyl myristate124-06-1100 % similar Ethyl heptadecanoate14010-23-2100 % similar Ethyl nonadecanoate18281-04-4100 % similar

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

Same formula

Dodecyl acetate112-66-3 Methyl tridecanoate1731-88-0 Butyl decanoate30673-36-0 Myristic acid544-63-8

Elsewhere

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