chempirical

Butyl palmitate

C20H40O2CAS 111-06-8312.54 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
16.9 °C
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 11 ECHA notifiers. Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
111-06-8
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCC
InChIKey
GLYJVQDYLFAUFC-UHFFFAOYSA-N
InChI
InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Hexadecanoic acid, butyl ester
  • Palmitic acid, butyl ester
  • n-Butyl hexadecanoate
  • n-Butyl palmitate
  • Butyl hexadecanoate
  • NSC 4815
  • Palmitic acid n-butyl ester

Work with Butyl palmitate

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 laurate106-18-3100 % similar Butyl myristate110-36-1100 % 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 stearate111-61-5 Decyl decanoate1654-86-0 Methyl nonadecan-1-oate1731-94-8 Arachidic acid506-30-9 Octadecyl acetate822-23-1 Polyethylene glycol monooleyl ether9004-98-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook