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Substance Name: Octanenitrile
RN: 124-12-9
UNII: D6646V87PY
InChIKey: YSIMAPNUZAVQER-UHFFFAOYSA-N

Molecular Formula

  • C8-H15-N

Molecular Weight

  • 125.214
 
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Names and Synonyms

Name of Substance

  • Octanenitrile

Synonyms

  • 1-Cyanoheptane
  • 4-02-00-00993 (Beilstein Handbook Reference)
  • AI3-33240
  • Arneel 8
  • BRN 1744063
  • Caprylnitrile
  • Caprylonitrile
  • EC 204-682-2
  • EINECS 204-682-2
  • NSC 5513
  • Octanonitrile
  • UNII-D6646V87PY

Systematic Name

  • Octanenitrile

Registry Numbers

CAS Registry Number

  • 124-12-9

FDA UNII

  • D6646V87PY

System Generated Number

  • 0000124129

Structure Descriptors

InChI

1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3

InChIKey

YSIMAPNUZAVQER-UHFFFAOYSA-N

Smiles

C(CCCC)CCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1764mg/kg (1764mg/kg)   Archives of Toxicology. Vol. 55, Pg. 47, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.56E+01 deg C   EXP
Boiling Point 205.2 deg C   EXP
log P (octanol-water) 2.75 (none)   EXP
Water Solubility 234 mg/L 25 EST
Vapor Pressure 0.39 mm Hg 25 EXP
Henry's Law Constant 1.67E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.91E-12 cm3/molecule-sec 25 EST

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