chempirical

Dodecyl gallate

C19H30O5CAS 1166-52-5338.44 g/mol

Open in Covalent MOL file
OOOHOHOH
EsterPhenol

Properties

Molecular formula
C19H30O5
Molar mass
338.44 g/mol
Exact mass
338.2093 Da
Melting point
96.5–97 °C
logP
4.88Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
12

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
1166-52-5
SMILES
CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
InChIKey
RPWFJAMTCNSJKK-UHFFFAOYSA-N
InChI
InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester
  • Gallic acid, dodecyl ester
  • Lauryl gallate
  • Nipagallin LA
  • Progallin LA
  • Lauryl 3,4,5-trihydroxybenzoate
  • Dodecyl 3,4,5-trihydroxybenzoate
  • Gallic acid lauryl ester
  • NSC 133463
  • E 312

Work with Dodecyl gallate

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

Octyl gallate1034-01-1100 % similar Stearyl gallate10361-12-3100 % similar Cetyl gallate5026-65-3100 % similar Butyl gallate1083-41-689 % similar Propyl gallate121-79-978 % similar Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate67845-93-668 % similar Ethyl gallate831-61-864 % similar Hexyl 4-hydroxybenzoate1083-27-862 % similar

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

Same formula

Piperonyl butoxide51-03-6 Idebenone58186-27-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia