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Acetyltributylcitrate

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Acetyltributylcitrate
Names
Preferred IUPAC name Tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.000.971 Edit this at Wikidata
PubChem CID
UNII
CompTox Dashboard (EPA)
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
  • InChI=1/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/h5-15H2,1-4H3Key: QZCLKYGREBVARF-UHFFFAOYAE
SMILES
  • CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C
Properties
Chemical formula C20H34O8
Molar mass 402.484 g·mol
Appearance Colorless liquid
Density 1.046 g/cm
Melting point −80 °C (−112 °F; 193 K)
Boiling point 172 to 174 °C (342 to 345 °F; 445 to 447 K) 1 mm Hg
Solubility in water 0.02 g/L (20 °C)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

Acetyltributylcitrate is an organic compound that is used as a plasticizer. As such, it is a potential replacement of DEHP and DINP. It is a colorless liquid that is soluble in organic solvents. It is found in nail polish and other cosmetics. It is prepared by acetylation of tributylcitrate.

References

  1. Britt E. Erickson: Regulators And Retailers Raise Pressure On Phthalates, Chemical & Engineering News 93(25), 2015, p. 11–15.
  2. Ashford, R.D. Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd., 1994., p. 902.
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