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Substance Name: Octadecanonitrile
RN: 638-65-3
UNII: QXY19Q5N5I
InChIKey: RHSBIGNQEIPSCT-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C18-H35-N

Molecular Weight

  • 265.4815
 
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Names and Synonyms

Name of Substance

  • Octadecanonitrile

Synonyms

  • 1-Cyanoheptadecane
  • 4-02-00-01242 (Beilstein Handbook Reference)
  • AI3-14660
  • BRN 0972464
  • EINECS 211-345-3
  • Heptadecyl cyanide
  • HSDB 5735
  • Nitril kyseliny stearove
  • Nitril kyseliny stearove [Czech]
  • Nitril kyseliny stearove [Czech]
  • NSC 5541
  • Octadecanenitrile
  • Octadecanoic acid, nitrile
  • Octadecanonitrile
  • Oktadekannitril
  • Oktadekannitril [Czech]
  • Stearinsaeurenitril
  • Stearinsaeurenitril [German]
  • Stearonitrile
  • UNII-QXY19Q5N5I

Systematic Names

  • Octadecanenitrile
  • Stearonitrile

Superlist Name

  • Stearonitrile

Registry Numbers

CAS Registry Number

  • 638-65-3

FDA UNII

  • QXY19Q5N5I

System Generated Number

  • 0000638653

Structure Descriptors

InChI

1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3

InChIKey

RHSBIGNQEIPSCT-UHFFFAOYSA-N

Smiles

C(CCCCCCCCC)CCCCCCCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 10gm/kg (10000mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rat LD50 oral > 10gm/kg (10000mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 41 deg C   EXP
Boiling Point 362 deg C   EXP
log P (octanol-water) 7.710 (none)   EST
Atmospheric OH Rate Constant 2.00E-11 cm3/molecule-sec 25 EST

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