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Substance Name: 2,6-Diethylphenol
RN: 1006-59-3
UNII: FXC69FTD6U
InChIKey: METWAQRCMRWDAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.22
 
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Names and Synonyms

Name of Substance

  • 2,6-Diethylphenol

Synonyms

  • 2,6-Diethylphenol
  • 4-06-00-03351 (Beilstein Handbook Reference)
  • BRN 2207162
  • EINECS 213-744-8
  • UNII-FXC69FTD6U

Systematic Names

  • 2,6-Diethylphenol
  • Phenol, 2,6-diethyl-

Registry Numbers

CAS Registry Number

  • 1006-59-3

FDA UNII

  • FXC69FTD6U

System Generated Number

  • 0001006593

Structure Descriptors

InChI

1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3

InChIKey

METWAQRCMRWDAW-UHFFFAOYSA-N

Smiles

Oc1c(cccc1CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 230mg/kg (230mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.
mouse LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: SLEEP

BEHAVIORAL: GENERAL ANESTHETIC
Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.03 (none)   EXP
Water Solubility 744 mg/L 25 EST
Vapor Pressure 7.91E-03 mm Hg 25 EST
Henry's Law Constant 1.20E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.18E-11 cm3/molecule-sec 25 EST

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