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Substance Name: Glycerol triisopentanoate
RN: 620-63-3
UNII: 451HEL00B1
InChIKey: HZGMZSCMYSGJTL-UHFFFAOYSA-N

Molecular Formula

  • C18-H32-O6

Molecular Weight

  • 344.445
 
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Names and Synonyms

Results Name

  • Glycerol triisopentanoate

Name of Substance

  • Triisovalerin

Synonyms

  • 1,2,3-Propanetriyl 3-methylbutanoate
  • 4-02-00-00900 (Beilstein Handbook Reference)
  • BRN 1804184
  • Butanoic acid, 3-methyl-, 1,2,3-propanetriyl ester
  • EINECS 210-645-1
  • Glycerol triisopentanoate
  • Isovalerin, tri (6CI)
  • NSC 4048
  • Triisovalerin
  • UNII-451HEL00B1

Systematic Names

  • Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester
  • Butanoic acid, 3-methyl-, 1,2,3-propanetriyl ester
  • Glycerol triisopentanoate
  • Glycerol triisovalerate
  • Isovaleric acid, 1,2,3-propanetriyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 620-63-3

FDA UNII

  • 451HEL00B1

System Generated Number

  • 0000620633

Structure Descriptors

InChI

1S/C18H32O6/c1-12(2)7-16(19)22-10-15(24-18(21)9-14(5)6)11-23-17(20)8-13(3)4/h12-15H,7-11H2,1-6H3

InChIKey

HZGMZSCMYSGJTL-UHFFFAOYSA-N

Smiles

O=C(OCC(OC(=O)CC(C)C)COC(=O)CC(C)C)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 82mg/kg (82mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 332.5 deg C   EXP
log P (octanol-water) 4.560 (none)   EST
Atmospheric OH Rate Constant 1.76E-11 cm3/molecule-sec 25 EST

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