chempirical

Octadecyl acetate

C20H40O2CAS 822-23-1312.54 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C20H40O2
Molar mass
312.54 g/mol
Exact mass
312.3028 Da
Melting point
34.5 °C
Boiling point
172.4 °C (at 1.5 Torr)
logP
6.81Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
17

Hazards

Not classified as hazardous under GHS by 104 ECHA notifiers. Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
822-23-1
SMILES
CCCCCCCCCCCCCCCCCCOC(C)=O
InChIKey
OIZXRZCQJDXPFO-UHFFFAOYSA-N
InChI
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, octadecyl ester
  • 1-Octadecanol acetate
  • Stearyl acetate
  • 1-Octadecyl acetate
  • n-Octadecyl acetate
  • NSC 5546

Work with Octadecyl 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 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 Dodecyl acetate112-66-3100 % similar Hexyl acetate142-92-7100 % similar Nonyl acetate143-13-5100 % 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

Butyl palmitate111-06-8 Ethyl stearate111-61-5 Decyl decanoate1654-86-0 Methyl nonadecan-1-oate1731-94-8 Arachidic acid506-30-9 Polyethylene glycol monooleyl ether9004-98-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook