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Substance Name: Dodecane
RN: 112-40-3
UNII: 11A386X1QH
InChIKey: SNRUBQQJIBEYMU-UHFFFAOYSA-N

Classification Codes

  • Carcinogens
  • Noxae
  • Tumor Data

Molecular Formula

  • C12-H26

Molecular Weight

  • 170.337
 
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Names and Synonyms

Name of Substance

  • Dodecane
  • n-Dodecane

Synonyms

  • 4-01-00-00498 (Beilstein Handbook Reference)
  • Adakane 12
  • Ba 51-090453
  • Bihexyl
  • BRN 1697175
  • CCRIS 661
  • Dihexyl
  • EC 203-967-9
  • EINECS 203-967-9
  • HSDB 5133
  • n-Dodecan
  • n-Dodecan [German]
  • n-Dodecane
  • NSC 8714
  • UNII-11A386X1QH

Systematic Names

  • Dodecane
  • n-Dodecane

Superlist Name

  • Dodecane

Registry Numbers

CAS Registry Number

  • 112-40-3

FDA UNII

  • 11A386X1QH

System Generated Number

  • 0000112403

Structure Descriptors

InChI

1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey

SNRUBQQJIBEYMU-UHFFFAOYSA-N

Smiles

C(CCCCCC)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 2672mg/kg (2672mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
rat LC50 inhalation > 142ppm/8H (142ppm)   Pharmacology and Toxicology Vol. 62, Pg. 259, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.60E+00 deg C   EXP
Boiling Point 216.3 deg C   EXP
log P (octanol-water) 6.1 (none)   EXP
Water Solubility 0.0037 mg/L 25 EXP
Vapor Pressure 0.135 mm Hg 25 EXP
Henry's Law Constant 8.180 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.42E-11 cm3/molecule-sec 25 EXP

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