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Substance Name: beta-Resorcylaldehyde
RN: 95-01-2
UNII: 772JOF6LZS
InChIKey: IUNJCFABHJZSKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-O3

Molecular Weight

  • 138.1214
 
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Names and Synonyms

Name of Substance

  • beta-Resorcylaldehyde

Synonyms

  • 2,4-Dihydroxybenzaldehyde
  • 2,4-Dihydroxybenzenecarbonal
  • 4-08-00-01753 (Beilstein Handbook Reference)
  • 4-Formylresorcinol
  • 4-Hydroxysalicyladehyde
  • 4-Hydroxysalicylaldehyde
  • AI3-24367
  • Benzaldehyde, 2,4-dihydroxy-
  • beta-Resorcaldehyde
  • beta-Resorcinaldehyde
  • beta-Resorcylic aldehyde
  • beta-Rosorcaldehyde
  • BRN 0878548
  • EINECS 202-383-1
  • NSC 8690
  • Salicylaldehyde, 4-hydroxy-
  • UNII-772JOF6LZS

Systematic Names

  • 2,4-Dihydroxybenzaldehyde
  • Benzaldehyde, 2,4-dihydroxy-
  • beta-Resorcylaldehyde

Registry Numbers

CAS Registry Number

  • 95-01-2

FDA UNII

  • 772JOF6LZS

Other Registry Number

  • 1060789-59-4

System Generated Number

  • 0000095012

Structure Descriptors

InChI

1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H

InChIKey

IUNJCFABHJZSKB-UHFFFAOYSA-N

Smiles

c1cc(c(cc1O)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 14, Pg. 449, 1976.
mouse LD50 oral 1380mg/kg (1380mg/kg)   International Journal of Andrology. Vol. 10, Pg. 741, 1987.
rat LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
National Technical Information Service. Vol. OTS0533439,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 135 deg C   EXP
log P (octanol-water) 1.530 (none)   EST
Atmospheric OH Rate Constant 2.05E-10 cm3/molecule-sec 25 EST

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