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Substance Name: Dotriacontane
RN: 544-85-4
UNII: 7KSV90RN23
InChIKey: QHMGJGNTMQDRQA-UHFFFAOYSA-N

Molecular Formula

  • C32-H66

Molecular Weight

  • 450.873
 
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Names and Synonyms

Name of Substance

  • Dotriacontane

Synonyms

  • 4-01-00-00595 (Beilstein Handbook Reference)
  • AI3-52367
  • Bicetyl
  • BRN 1783260
  • Dotriacontane
  • EINECS 208-881-5
  • HSDB 8362
  • n-Dotriacontane
  • NSC 6361
  • UNII-7KSV90RN23

Systematic Name

  • Dotriacontane

Registry Numbers

CAS Registry Number

  • 544-85-4

FDA UNII

  • 7KSV90RN23

System Generated Number

  • 0000544854

Structure Descriptors

InChI

1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

InChIKey

QHMGJGNTMQDRQA-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00741,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 69.7 deg C   EXP
Boiling Point 467 deg C   EXP
log P (octanol-water) 16.06 (none)   EST
Water Solubility 8.29E-12 mg/L 25 EST
Henry's Law Constant 2700 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.22E-11 cm3/molecule-sec 25 EST

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