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Substance Name: Tributyl citrate
RN: 77-94-1
UNII: 827D5B1B6S
InChIKey: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N

Molecular Formula

  • C18-H32-O7

Molecular Weight

  • 360.444
 
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Names and Synonyms

Results Name

  • Tributyl citrate

Name of Substance

  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
  • 2-Hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester
  • Tributyl citrate
  • Tributyl citrate [NF]

Synonyms

  • 2-Hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester
  • 4-03-00-01276 (Beilstein Handbook Reference)
  • AI3-00394
  • BRN 1806072
  • Butyl citrate
  • Butyl citrate (VAN)
  • Citric acid, tributyl ester
  • Citroflex 4
  • EC 201-071-2
  • EINECS 201-071-2
  • n-Butyl citrate
  • NSC 8491
  • Tri-n-butyl citrate
  • Tributyl 2-hydroxy-1,2,3-propanetricarboxylate
  • Tributyl citrate
  • UNII-827D5B1B6S

Systematic Names

  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
  • Citric acid, tributyl ester (8CI)
  • Tributyl citrate

Registry Numbers

CAS Registry Number

  • 77-94-1

FDA UNII

  • 827D5B1B6S

Other Registry Number

  • 611199-02-1

System Generated Number

  • 0000077941

Structure Descriptors

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

InChIKey

ZFOZVQLOBQUTQQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2900mg/kg (2900mg/kg) VASCULAR: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmaceutical Sciences. Vol. 53, Pg. 774, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+01 deg C   EXP
log P (octanol-water) 3.280 (none)   EST
Atmospheric OH Rate Constant 1.60E-11 cm3/molecule-sec 25 EST

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