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Substance Name: 1,3-Benzenediol, 4-(3-methylbutyl)- (9CI)
RN: 15116-17-3
InChIKey: NYARJMRXCRSQPJ-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

  • 3-06-00-04700 (Beilstein Handbook Reference)
  • 4-(3-Methylbutyl)-1,3-benzenediol
  • 4-Isoamylresorcinol
  • 4-Isopentylresorcinol
  • BRN 2209878
  • Isoamylresorcinol

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 15116-17-3

System Generated Number

  • 0015116173

Structure Descriptors

InChI

1S/C11H16O2/c1-8(2)3-4-9-5-6-10(12)7-11(9)13/h5-8,12-13H,3-4H2,1-2H3

InChIKey

NYARJMRXCRSQPJ-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)CCC(C)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 269mg/kg (269mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #90-292213,
mouse LD50 oral > 500mg/kg (500mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #90-292213,
mouse LD50 subcutaneous 1130mg/kg (1130mg/kg)   Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 78, 1952.