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Substance Name: 4-Hydroxy-5-methoxyisophthalaldehyde
RN: 2931-90-0
UNII: F38S6MCP4F
InChIKey: YVNRFQCFZVYDRO-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-O4

Molecular Weight

  • 180.1582
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxy-5-methoxyisophthalaldehyde

Synonyms

  • 4-08-00-02803 (Beilstein Handbook Reference)
  • 4-Hydroxy-5-methoxyisophthalaldehyde
  • 4-Hydroxy-5-methoxyisophthalic dialdehyde
  • 5-Formylvanillin
  • Aldehyde hydroxy-4 methoxy-3 isophthalique
  • Aldehyde hydroxy-4 methoxy-3 isophthalique [French]
  • BRN 1955742
  • Dialdehyde vanillique
  • Dialdehyde vanillique [French]
  • EINECS 220-901-4
  • Isophthaldehyde, 4-hydroxy-5-methoxy-
  • NSC 41797
  • NSC 43298
  • UNII-F38S6MCP4F

Systematic Names

  • 1,3-Benzenedicarboxaldehyde, 4-hydroxy-5-methoxy- (9CI)
  • 4-Hydroxy-5-methoxyisophthalaldehyde
  • Isophthaldehyde, 4-hydroxy-5-methoxy-

Registry Numbers

CAS Registry Number

  • 2931-90-0

FDA UNII

  • F38S6MCP4F

System Generated Number

  • 0002931900

Structure Descriptors

InChI

1S/C9H8O4/c1-13-8-3-6(4-10)2-7(5-11)9(8)12/h2-5,12H,1H3

InChIKey

YVNRFQCFZVYDRO-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1O)C=O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 370mg/kg (370mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 236, Pg. 2549, 1953.
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Annales Pharmaceutiques Francaises. Vol. 12, Pg. 42, 1954.
mouse LD50 oral 2960mg/kg (2960mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 198, Pg. 194, 1972.