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Substance Name: Syringaldehyde
RN: 134-96-3
UNII: 2ZR01KTT21
InChIKey: KCDXJAYRVLXPFO-UHFFFAOYSA-N

Note

  • Isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-O4

Molecular Weight

  • 182.174
 
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Names and Synonyms

Name of Substance

  • Syringaldehyde

Synonyms

  • 3,5-Dimethoxy-4-hydroxybenzaldehyde
  • 3,5-Dimethoxy-4-hydroxybenzene carbonal
  • 4-08-00-02718 (Beilstein Handbook Reference)
  • 4-Hydroksy-3,5-dwumetoksybenzaldehyd
  • 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish]
  • 4-Hydroxy-3,5-dimethoxybenzaldehyde
  • AI3-28796
  • Benzaldehyde, 3,5-dimethoxy-4-hydroxy-
  • BRN 0784514
  • EINECS 205-167-5
  • Gallaldehyde 3,5-dimethyl ether
  • NSC 41153
  • Syringaldehyde
  • Syringealdehyde
  • Syringic aldehyde
  • Syringylaldehyde
  • UNII-2ZR01KTT21

Systematic Names

  • 4-Hydroxy-3,5-dimethoxybenzaldehyde
  • Benzaldehyde, 3,5-dimethoxy-4-hydroxy-
  • Benzaldehyde, 4-hydroxy-3,5-dimethoxy-

Registry Numbers

CAS Registry Number

  • 134-96-3

FDA UNII

  • 2ZR01KTT21

System Generated Number

  • 0000134963

Structure Descriptors

InChI

InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3

InChIKey

KCDXJAYRVLXPFO-UHFFFAOYSA-N

Smiles

COc1cc(C=O)cc(OC)c1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 113 deg C   EXP
log P (octanol-water) 0.880 (none)   EST
Atmospheric OH Rate Constant 1.01E-10 cm3/molecule-sec 25 EST

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