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Substance Name: Hexylphosphonic acid diethyl ester
RN: 16165-66-5
InChIKey: VVUJWLDQIIFQHI-UHFFFAOYSA-N

Molecular Formula

  • C10-H23-O3-P

Molecular Weight

  • 222.263
 
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Names and Synonyms

Name of Substance

  • Hexylphosphonic acid diethyl ester

Synonyms

  • 4-04-00-03560 (Beilstein Handbook Reference)
  • AI3-18566
  • BRN 1771540
  • Diethyl hexylphosphonate
  • Hexylphosphonic acid diethyl ester
  • PAE(sub 6)

Systematic Name

  • Phosphonic acid, hexyl-, diethyl ester

Registry Numbers

CAS Registry Number

  • 16165-66-5

System Generated Number

  • 0016165665

Structure Descriptors

InChI

1S/C10H23O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4-10H2,1-3H3

InChIKey

VVUJWLDQIIFQHI-UHFFFAOYSA-N

Smiles

C(CCCCC)P(=O)(OCC)OCC

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#06642,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.850 (none)   EST
Water Solubility 600 mg/L 25 EXP
Atmospheric OH Rate Constant 4.53E-11 cm3/molecule-sec 25 EST

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