chempirical

Acetyltributylcitrate

C20H34O8CAS 77-90-7402.48 g/mol

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Ester

Properties

Molecular formula
C20H34O8
Molar mass
402.48 g/mol
Exact mass
402.2254 Da
Density
1.046 g/mL (at 25 °C)
Melting point
−80 °C
Boiling point
172–174 °C (at 1 Torr)
logP
3.10Crippen estimate
Polar surface area
105.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
15

Identifiers

CAS number
77-90-7
SMILES
CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC
InChIKey
QZCLKYGREBVARF-UHFFFAOYSA-N
InChI
InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3

Weigh it out

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

Names and synonyms

36 names · show all
  • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester
  • Citric acid, tributyl ester, acetate
  • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
  • 2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester
  • Acetyl tributyl citrate
  • Citroflex A 4
  • Tributyl 2-acetoxy-1,2,3-propanetricarboxylate
  • Citroflex A
  • Tributyl acetylcitrate
  • Tributyl citrate acetate
  • Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid
  • Tributyl O-acetylcitrate
  • Blo-trol
  • Acetylcitric acid tributyl ester
  • Acetyl butyl citrate
  • ATBC
  • Estaflex ATC
  • Citroflex 4A-S
  • Sansocizer ATBC
  • NSC 3894
  • Monocizer ATBC
  • Morflex ATBC
  • Citrofol BII
  • Acetyl tris-n-butyl citrate
  • Pacizer 6412
  • Tributyl 2-acetyl citrate
  • Scandinol SP 22
  • Acetyl tri-n-butyl citrate
  • Kanatol 3400AC
  • ADK Cizer PN 6810
  • Citrofol B 2
  • LC 18
  • LC 18 (plasticizer)
  • FF 454
  • Proviplast 2624
  • Plasticizer 40T

Work with Acetyltributylcitrate

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

Butyryl trihexyl citrate82469-79-264 % similar Acetyl triethyl citrate77-89-464 % similar Tributyl citrate77-94-159 % similar Butyl acetate123-86-453 % similar Dibutyl succinate141-03-749 % similar Butyl 2,2,2-trifluoroacetate367-64-648 % similar Butyl acetoacetate591-60-648 % similar Dibutyl adipate105-99-747 % similar

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

Elsewhere

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