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Substance Name: Benzoic acid, 2-hydroxy-5-methoxy-, octyl ester
RN: 25485-92-1
InChIKey: IVWRXWGNNXFFOH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-O4

Molecular Weight

  • 280.362
 
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Names and Synonyms

Synonyms

  • BRN 2732758
  • Hydroxy-2 methoxy-5 benzoate de n-octyle
  • Hydroxy-2 methoxy-5 benzoate de n-octyle [French]
  • m-Anisic acid, 6-hydroxy-, octyl ester
  • Octyl 2-hydroxy-5-methoxybenzoate
  • S 30

Systematic Name

  • Benzoic acid, 2-hydroxy-5-methoxy-, octyl ester

Registry Numbers

CAS Registry Number

  • 25485-92-1

System Generated Number

  • 0025485921

Structure Descriptors

InChI

1S/C16H24O4/c1-3-4-5-6-7-8-11-20-16(18)14-12-13(19-2)9-10-15(14)17/h9-10,12,17H,3-8,11H2,1-2H3

InChIKey

IVWRXWGNNXFFOH-UHFFFAOYSA-N

Smiles

C(c1c(ccc(c1)OC)O)(=O)OCCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 parenteral > 4gm/kg (4000mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 453, 1969.