chempirical

Decyl decanoate

C20H40O2CAS 1654-86-0312.54 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C20H40O2
Molar mass
312.54 g/mol
Exact mass
312.3028 Da
Density
0.8586 g/mL (at 20 °C)
Melting point
9.7 °C
Boiling point
219–219.4 °C (at 15 Torr)
logP
6.81Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
17

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1654-86-0
SMILES
CCCCCCCCCCOC(=O)CCCCCCCCC
InChIKey
XAKXZZPEUKNHMA-UHFFFAOYSA-N
InChI
InChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Decanoic acid, decyl ester
  • Decyl caprate
  • 1-Decyl decanoate
  • Capryl caprate

Work with Decyl decanoate

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

Dioctyl adipate123-79-5100 % similar Dioctyl decanedioate2432-87-3100 % similar Stearyl stearate2778-96-3100 % similar Myristyl myristate3234-85-3100 % similar Decyl laurate36528-28-6100 % similar Dinonyl sebacate4121-16-8100 % similar Cetyl palmitate540-10-3100 % similar Hexyl hexanoate6378-65-0100 % similar

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

Same formula

Butyl palmitate111-06-8 Ethyl stearate111-61-5 Methyl nonadecan-1-oate1731-94-8 Arachidic acid506-30-9 Octadecyl acetate822-23-1 Polyethylene glycol monooleyl ether9004-98-2

Elsewhere

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