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Substance Name: Tricaprilin [USAN:JAN]
RN: 538-23-8
UNII: 6P92858988
InChIKey: VLPFTAMPNXLGLX-UHFFFAOYSA-N

Note

  • 13C-labeled trioctanoin used in breath tests to detect fat malabsorption.

Molecular Formula

  • C27-H50-O6

Molecular Weight

  • 470.686
 

Classification Codes

  • Excipients
  • Mutation Data
  • Pharmaceutic Aids
  • Pharmaceutical Vehicles
  • Reproductive Effect
  • Treatment of Alzheimer?s Disease
  • Tumor Data
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Names and Synonyms

Name of Substance

  • 1,2,3-Propanetriol trioctanoate
  • Caprylic acid, 1,2,3-propanetriyl ester
  • Glyceryl tricaprylate
  • Octanoic acid, 1,2,3-propanetriyl ester
  • Tricaprilin [USAN:JAN]
  • Tricaprylin

Synonyms

  • 4-02-00-00991 (Beilstein Handbook Reference)
  • AC-1202
  • Axona
  • BRN 1717202
  • Caprylic acid triglyceride
  • Caprylic triglyceride
  • Caprylidene
  • Caprylin
  • CER-0001
  • EINECS 208-686-5
  • Glycerol tricaprylate
  • Glycerol trioctanoate
  • Glyceryl trioctanoate
  • HSDB 7829
  • Maceight
  • NSC 4059
  • Octanoic acid triglyceride
  • Octanoic acid, 1,2,3-propanetriyl ester
  • Panacete 800
  • Rato
  • Sefsol 800
  • Tricaprilin
  • Tricaprylic glyceride
  • Tricaprylin
  • Trioctanoin oil
  • Trioctanoylglycerol
  • UNII-6P92858988
  • WHO 10584

Systematic Names

  • Glycerol trioctanoate
  • Octanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
  • Octanoic acid, 1,2,3-propanetriyl ester
  • Octanoin, tri- (8CI)
  • Propane-1,2,3-triyl trioctanoate
  • Trioctanoin

Superlist Names

  • Octanoin, tri-
  • Tricaprylin

Registry Numbers

CAS Registry Number

  • 538-23-8

FDA UNII

  • 6P92858988

Other Registry Number

  • 114355-15-6

System Generated Number

  • 0000538238

Structure Descriptors

InChI

1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3

InChIKey

VLPFTAMPNXLGLX-UHFFFAOYSA-N

Smiles

C(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)OC(=O)CCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 27800mg/kg (27800mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 871, 1970.
mouse LD subcutaneous > 27800mg/kg (27800mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 871, 1970.
mouse LD50 intravenous 3700mg/kg (3700mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957.
mouse LD50 oral 29600mg/kg (29600mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 871, 1970.
rat LD intraperitoneal > 27800mg/kg (27800mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 871, 1970.
rat LD subcutaneous > 27800mg/kg (27800mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 871, 1970.
rat LD50 oral 33300mg/kg (33300mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 871, 1970.
rat LDLo intravenous 4gm/kg (4000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 871, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 10 deg C   EXP
Boiling Point 233 deg C   EXP
log P (octanol-water) 9.200 (none)   EST
Water Solubility 0.4 mg/L 37 EXP
Vapor Pressure 2.09E-08 mm Hg 25 EST
Henry's Law Constant 2.87E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.03E-11 cm3/molecule-sec 25 EST

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