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Substance Name: 3-Pentadecylcatechol
RN: 492-89-7
UNII: 51M8X101ML
InChIKey: DQTMTQZSOJMZSF-UHFFFAOYSA-N

Molecular Formula

  • C21-H36-O2

Molecular Weight

  • 320.513
 
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Names and Synonyms

Name of Substance

  • 3-Pentadecacatechol
  • 3-Pentadecylcatechol

Synonyms

  • 3-n-Pentadecylcatechol
  • 3-n-Pentadecylpyrocatechol
  • 3-Pentadecylcatechol
  • 4-06-00-06109 (Beilstein Handbook Reference)
  • BRN 1885390
  • Dihydrorhengol
  • Hydroureshiol
  • NSC 403211
  • Tetrahydrourushiol
  • UNII-51M8X101ML
  • USAF uctl-1803

Systematic Names

  • 1,2-Benzenediol, 3-pentadecyl- (9CI)
  • Pyrocatechol, 3-pentadecyl-

Registry Numbers

CAS Registry Number

  • 492-89-7

FDA UNII

  • 51M8X101ML

System Generated Number

  • 0000492897

Structure Descriptors

InChI

1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h15,17-18,22-23H,2-14,16H2,1H3

InChIKey

DQTMTQZSOJMZSF-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCc1c(O)c(O)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 59.5 deg C   EXP
log P (octanol-water) 8.460 (none)   EST
Atmospheric OH Rate Constant 7.67E-11 cm3/molecule-sec 25 EST

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