chempirical

Isoamyl laurate

C17H34O2CAS 6309-51-9270.46 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C17H34O2
Molar mass
270.46 g/mol
Exact mass
270.2559 Da
Density
0.853–0.859 g/mL
Boiling point
169 °C (at 2 Torr)
logP
5.50Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
13

Hazards

Not classified as hazardous under GHS by 18 ECHA notifiers. Aggregated from 18 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
6309-51-9
SMILES
CCCCCCCCCCCC(=O)OCCC(C)C
InChIKey
FVKRIDSRWFEQME-UHFFFAOYSA-N
InChI
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Dodecanoic acid, 3-methylbutyl ester
  • Lauric acid, isopentyl ester
  • Isopentyl alcohol, laurate
  • Isopentyl laurate
  • 3-Methylbutyl dodecanoate
  • NSC 42577
  • Isoamyl dodecanoate
  • Dermofeel sensolv
  • Radiosolve 7529

Work with Isoamyl 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

Isoamyl octanoate2035-99-6100 % similar Isoamyl hexanoate2198-61-097 % similar Isodecyl pelargonate109-32-082 % similar Isooctyl palmitate1341-38-482 % similar Isoamyl butyrate106-27-475 % similar Glycol distearate627-83-871 % similar Isobutyl hexanoate105-79-370 % similar Butyl laurate106-18-369 % similar

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

Same formula

Isopropyl myristate110-27-0 Methyl palmitate112-39-0 Ethyl pentadecanoate41114-00-5 Margaric acid506-12-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook