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Substance Name: Acetyltributyl citrate [NF]
RN: 77-90-7
UNII: 0ZBX0N59RZ
InChIKey: QZCLKYGREBVARF-UHFFFAOYSA-N

Molecular Formula

  • C20-H34-O8

Molecular Weight

  • 402.4806
 
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Names and Synonyms

Name of Substance

  • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
  • 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, tributyl ester
  • 2-Acetyltributylcitrate
  • Acetyl tributyl citrate
  • Acetyltributyl citrate
  • Acetyltributyl citrate [NF]

Synonyms

  • 2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester
  • Acetyl tributyl citrate
  • Acetylcitric acid, tributyl ester
  • Acetyltributyl citrate
  • AI3-01999
  • ATBC
  • Blo-trol
  • BRN 2303316
  • Caswell No. 005AB
  • CCRIS 3409
  • Citric acid, tributyl ester, acetate
  • Citroflex A
  • Citroflex A 4
  • EC 201-067-0
  • EINECS 201-067-0
  • FEMA No. 3080
  • HSDB 656
  • NSC 3894
  • Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate
  • Tributyl 2-acetoxy-1,2,3-propanetricarboxylate
  • Tributyl acetyl citrate
  • Tributyl acetylcitrate
  • Tributyl citrate acetate
  • Tributyl O-acetylcitrate
  • UNII-0ZBX0N59RZ

Systematic Names

  • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester
  • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
  • Acetyl tributyl citrate
  • Citric acid, tributyl ester, acetate (8CI)
  • Tributyl O-acetylcitrate

Superlist Names

  • Acetyl tributyl citrate
  • Citric acid, tributyl ester, acetate

Registry Numbers

CAS Registry Number

  • 77-90-7

FDA UNII

  • 0ZBX0N59RZ

Other Registry Numbers

  • 37070-91-0
  • 791812-73-2

System Generated Number

  • 0000077907

Structure Descriptors

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

InChIKey

QZCLKYGREBVARF-UHFFFAOYSA-N

Smiles

CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 4gm/kg (4000mg/kg)   Journal of Pharmaceutical Sciences. Vol. 53, Pg. 774, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.00E+01 deg C   EXP
log P (octanol-water) 4.290 (none)   EST
Water Solubility 5 mg/L   EXP
Vapor Pressure 4.55E-06 mm Hg 25 EST
Henry's Law Constant 3.78E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.