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Substance Name: 1,3-Benzenediol, 4-pentyl- (9CI)
RN: 533-24-4
InChIKey: PJHYOCWMKYASAB-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C11-H16-O2

Molecular Weight

  • 180.245
 
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Names and Synonyms

Synonyms

  • 3-06-00-04693 (Beilstein Handbook Reference)
  • 4-Amylresorcinol
  • 4-Pentyl-1,3-benzenediol
  • 4-Pentylresorcinol
  • BRN 2092229
  • Normalamylresorcinol
  • Pentylresorcinol

Systematic Names

  • 1,3-Benzenediol, 4-pentyl- (9CI)
  • Resorcinol, 4-pentyl-

Registry Numbers

CAS Registry Number

  • 533-24-4

System Generated Number

  • 0000533244

Structure Descriptors

InChI

1S/C11H16O2/c1-2-3-4-5-9-6-7-10(12)8-11(9)13/h6-8,12-13H,2-5H2,1H3

InChIKey

PJHYOCWMKYASAB-UHFFFAOYSA-N

Smiles

Oc1c(ccc(c1)O)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1030mg/kg (1030mg/kg)   Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 78, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 72.5 deg C   EXP
log P (octanol-water) 3.540 (none)   EST
Water Solubility 2000 mg/L   EXP
Atmospheric OH Rate Constant 2.06E-10 cm3/molecule-sec 25 EST

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