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Substance Name: Dibutyl butylphosphonate
RN: 78-46-6
UNII: 5GO20BIE6O
InChIKey: JPGXOMADPRULAC-UHFFFAOYSA-N

Molecular Formula

  • C12-H27-O3-P

Molecular Weight

  • 250.3163
 
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Names and Synonyms

Name of Substance

  • Dibutyl butyl phosphonate
  • Dibutyl butylphosphonate

Synonyms

  • 4-04-00-03552 (Beilstein Handbook Reference)
  • AI3-15018
  • BRN 1777999
  • Di-n-butyl n-butylphosphonate
  • Dibutyl butanephosphonate
  • Dibutyl butylphosphonate
  • EINECS 201-119-2
  • HSDB 2563
  • NSC 2666
  • Phosphonic acid, butyl-, dibutyl ester
  • TC 44
  • UNII-5GO20BIE6O

Systematic Names

  • Dibutyl butylphosphonate
  • Phosphonic acid, butyl-, dibutyl ester
  • Phosphonic acid, P-butyl-, dibutyl ester

Registry Numbers

CAS Registry Number

  • 78-46-6

FDA UNII

  • 5GO20BIE6O

System Generated Number

  • 0000078466

Structure Descriptors

InChI

1S/C12H27O3P/c1-4-7-10-14-16(13,12-9-6-3)15-11-8-5-2/h4-12H2,1-3H3

InChIKey

JPGXOMADPRULAC-UHFFFAOYSA-N

Smiles

CCCCOP(=O)(CCCC)OCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03463,
mouse LDLo intraperitoneal 125mg/kg (125mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 789, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.830 (none)   EST
Water Solubility 500 mg/L 25 EXP
Atmospheric OH Rate Constant 5.64E-11 cm3/molecule-sec 25 EST

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