Ethyl ferulate

C12H14O4CAS 4046-02-0222.24 g/mol

Open in Covalent MOL file
OOOHO
AlkeneEsterEtherPhenol

Properties

Molecular formula
C12H14O4
Molar mass
222.24 g/mol
Exact mass
222.0892 Da
Melting point
75.5–76.5 °C
Boiling point
164–166 °C (at 0.5 Torr)
logP
1.98Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

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
4046-02-0
SMILES
CCOC(=O)C=Cc1ccc(O)c(OC)c1
InChIKey
ATJVZXXHKSYELS-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester
  • Cinnamic acid, 4-hydroxy-3-methoxy-, ethyl ester
  • Ferulic acid ethyl ester
  • Ethyl 4-hydroxy-3-methoxycinnamate
  • BBR 3222
  • NSC 14879
  • Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate

Work with Ethyl ferulate

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

Coniferyl ferulate63644-62-276 % similar Ethyl caffeate102-37-474 % similar Methyl ferulate2309-07-173 % similar Phenylethyl 3-methylcaffeate71835-85-370 % similar Curcumin458-37-765 % similar Dehydrozingerone1080-12-263 % similar Ferulic acid1135-24-663 % similar Ferulic acid537-98-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diglycidyl resorcinol ether101-90-6 Monobutyl phthalate131-70-4 Vanillin isobutyrate20665-85-4 5-tert-Butylisophthalic acid2359-09-3 1,4-Bis(2,3-epoxypropoxy)benzene2425-01-6 2-Oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl Methacrylate254900-07-7 3-(3-Methoxy-phenyl)-3-oxo-propionic acid ethyl ester27834-99-7 Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate2881-83-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook