chempirical

Tributyl citrate

C18H32O7CAS 77-94-1360.45 g/mol

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AlcoholEster

Properties

Molecular formula
C18H32O7
Molar mass
360.45 g/mol
Exact mass
360.2148 Da
Melting point
−20 °C
Boiling point
170–180 °C (at 11 Torr)
logP
2.53Crippen estimate
Polar surface area
99.1 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
14

Identifiers

CAS number
77-94-1
SMILES
CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
InChIKey
ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester
  • Citric acid, tributyl ester
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
  • Citroflex 4
  • Tri-n-butyl citrate
  • Butyl citrate
  • 2-Hydroxy-1,2,3-propanetricarboxylic acid tributyl ester
  • Citroflex C 4
  • NSC 8491
  • Morflex TBC
  • Citrofol BI
  • Citrofol B 1
  • Scandinol SP 21
  • Uniplex 83
  • TBC

Work with Tributyl citrate

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

Triethyl citrate77-93-061 % similar Acetyltributylcitrate77-90-759 % similar Butyryl trihexyl citrate82469-79-253 % similar Dibutyl succinate141-03-753 % similar Butyl glycolate7397-62-853 % similar Dibutyl adipate105-99-751 % similar Butyl butyrate109-21-751 % similar Butyl propionate590-01-251 % similar

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

Elsewhere

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