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Substance Name: Phenol, 2,6-dipropyl-
RN: 6626-32-0
InChIKey: NAILKKRDWBJCNH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-O

Molecular Weight

  • 178.273
 
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Names and Synonyms

Synonyms

  • 2,6-Dipropylphenol
  • 3-06-00-02013 (Beilstein Handbook Reference)
  • BRN 2440905
  • NSC 59848

Systematic Name

  • Phenol, 2,6-dipropyl-

Registry Numbers

CAS Registry Number

  • 6626-32-0

System Generated Number

  • 0006626320

Structure Descriptors

InChI

1S/C12H18O/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h5,8-9,13H,3-4,6-7H2,1-2H3

InChIKey

NAILKKRDWBJCNH-UHFFFAOYSA-N

Smiles

c1(c(cccc1CCC)CCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 27 deg C   EXP
Boiling Point 256 deg C   EXP
log P (octanol-water) 4.570 (none)   EST
Atmospheric OH Rate Constant 5.45E-11 cm3/molecule-sec 25 EST

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