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Substance Name: Dicaprylyl ether
RN: 629-82-3
UNII: 77JZM5516Z
InChIKey: NKJOXAZJBOMXID-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H34-O

Molecular Weight

  • 242.444
 
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Names and Synonyms

Name of Substance

  • 1,1'-Oxybisoctane
  • Dicaprylyl ether
  • n-Dioctyl ether
  • Octane, 1,1'-oxybis-,

Synonyms

  • 1,1'-Oxybisoctane
  • 4-01-00-01760 (Beilstein Handbook Reference)
  • AI3-09528
  • Antar
  • BRN 1748226
  • Caprylic ether
  • Di-n-octyl ether
  • Dioctyl ether
  • EC 211-112-6
  • EINECS 211-112-6
  • Ether, di-n-octyl-
  • n-Octyl ether
  • NSC 28948
  • UNII-77JZM5516Z

Systematic Names

  • Dioctyl ether
  • Octane, 1,1'-oxybis-
  • Octyl ether

Registry Numbers

CAS Registry Number

  • 629-82-3

FDA UNII

  • 77JZM5516Z

Other Registry Number

  • 1166299-58-6

System Generated Number

  • 0000629823

Structure Descriptors

InChI

1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey

NKJOXAZJBOMXID-UHFFFAOYSA-N

Smiles

O(CCCCCCCC)CCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1183mg/kg (1183mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.60E+00 deg C   EXP
Boiling Point 283 deg C   EXP
log P (octanol-water) 6.940 (none)   EST
Atmospheric OH Rate Constant 3.60E-11 cm3/molecule-sec 25 EST

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