chempirical

Ethyl heptadecanoate

C19H38O2CAS 14010-23-2298.51 g/mol

Open in Covalent MOL file
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Ester

Properties

Molecular formula
C19H38O2
Molar mass
298.51 g/mol
Exact mass
298.2872 Da
Melting point
28 °C
logP
6.42Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
16

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
14010-23-2
SMILES
CCCCCCCCCCCCCCCCC(=O)OCC
InChIKey
KNXMUFRWYNVISA-UHFFFAOYSA-N
InChI
InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h3-18H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Heptadecanoic acid, ethyl ester
  • Ethyl n-heptadecanoate
  • Ethyl margarate
  • NSC 137831
  • Margaric acid ethyl ester

Work with Ethyl heptadecanoate

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

Ethyl heptanoate106-30-9100 % similar Ethyl octanoate106-32-1100 % similar Ethyl dodecanoate106-33-2100 % similar Ethyl decanoate110-38-3100 % similar Ethyl stearate111-61-5100 % similar Ethyl nonanoate123-29-5100 % similar Ethyl myristate124-06-1100 % similar Ethyl nonadecanoate18281-04-4100 % similar

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

Same formula

Isodecyl pelargonate109-32-0 Methyl stearate112-61-8 Isopropyl palmitate142-91-6 Nonadecylic acid646-30-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook