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Substance Name: Dihexyl ether
RN: 112-58-3
UNII: W1U07QA435
InChIKey: BPIUIOXAFBGMNB-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H26-O

Molecular Weight

  • 186.336
 
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Names and Synonyms

Name of Substance

  • Dihexyl ether

Synonyms

  • 1,1'-Oxybis(hexane)
  • 4-01-00-01698 (Beilstein Handbook Reference)
  • AI3-01454
  • Bis(1-hexyl) ether
  • Bis(1-hexyl)ether
  • BRN 1738177
  • Di-n-hexyl ether
  • Dihexyl ether
  • EC 203-987-8
  • EINECS 203-987-8
  • Ether, dihexyl
  • Hexyl ether
  • n-Hexyl ether
  • NSC 9286
  • UNII-W1U07QA435

Systematic Names

  • Dihexyl ether
  • Ether, dihexyl
  • Hexane, 1,1'-oxybis-
  • Hexyl ether (8CI)

Superlist Names

  • Hexane, 1,1'-oxybis-
  • Hexyl ether
  • n-Hexyl ether

Registry Numbers

CAS Registry Number

  • 112-58-3

FDA UNII

  • W1U07QA435

System Generated Number

  • 0000112583

Structure Descriptors

InChI

1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey

BPIUIOXAFBGMNB-UHFFFAOYSA-N

Smiles

O(CCCCCC)CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 885mg/kg (885mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
rabbit LD50 skin 6mL/kg (6mL/kg)   Union Carbide Data Sheet. Vol. 7/13/1971,
rat LD50 oral 30900mg/kg (30900mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 223 deg C   EXP
log P (octanol-water) 4.980 (none)   EST
Water Solubility 2.870 mg/L 25 EST
Vapor Pressure 0.0461 mm Hg 25 EXP
Henry's Law Constant 0.015 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.03E-11 cm3/molecule-sec 25 EST

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