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Substance Name: n-Undecane
RN: 1120-21-4
UNII: JV0QT00NUE
InChIKey: RSJKGSCJYJTIGS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H24

Molecular Weight

  • 156.311
 
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Names and Synonyms

Name of Substance

  • n-Undecane
  • Undecane

Synonyms

  • 4-01-00-00487 (Beilstein Handbook Reference)
  • AI3-21126
  • BRN 1697099
  • CCRIS 3796
  • EC 214-300-6
  • EINECS 214-300-6
  • Hendecane
  • HSDB 5791
  • n-Undecane
  • NSC 66159
  • Undecane
  • UNII-JV0QT00NUE

Systematic Names

  • n-Undecane
  • Undecane

Superlist Names

  • n-Undecane
  • UN2330
  • Undecane
  • Undecane [UN2330] [Flammable liquid]

Registry Numbers

CAS Registry Number

  • 1120-21-4

FDA UNII

  • JV0QT00NUE

Other Registry Number

  • 1714962-75-0

System Generated Number

  • 0001120214

Structure Descriptors

InChI

1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3

InChIKey

RSJKGSCJYJTIGS-UHFFFAOYSA-N

Smiles

C(CCCCC)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 517mg/kg (517mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.
rat LC50 inhalation > 442ppm/8H (442ppm)   Pharmacology and Toxicology Vol. 62, Pg. 259, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.56E+01 deg C   EXP
Boiling Point 195.9 deg C   EXP
log P (octanol-water) 6.500 (none)   EST
Water Solubility 0.0044 mg/L 25 EXP
Vapor Pressure 0.412 mm Hg 25 EXP
Henry's Law Constant 1.930 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-11 cm3/molecule-sec 25 EXP

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