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Substance Name: 4-O-Methylvanillin
RN: 120-14-9
UNII: UI88P68JZD
InChIKey: WJUFSDZVCOTFON-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Results Name

  • 4-O-Methylvanillin

Name of Substance

  • 3,4-Dimethoxybenzaldehyde
  • Veratraldehyde

Synonyms

  • 3,4-Dimethoxybenzaldehyde
  • 3,4-Dimethoxybenzenecarbonal
  • 4-08-00-01765 (Beilstein Handbook Reference)
  • 4-O-Methylvanillin
  • AI3-08099
  • Benzaldehyde, 3,4-dimethoxy-
  • BRN 0473899
  • CCRIS 6285
  • EINECS 204-373-2
  • FEMA No. 3109
  • Methylvanillin
  • NSC 24521
  • p-Veratric aldehyde
  • Protocatechualdehyde dimethyl ether
  • Protocatechuecaldehyde dimethyl ether
  • Protocatechuic aldehyde dimethyl ether
  • UNII-UI88P68JZD
  • Vanillin methyl ether
  • Veratral
  • Veratraldehyde
  • Veratric aldehyde
  • Veratrum aldehyde
  • Veratryl aldehyde

Systematic Names

  • Benzaldehyde, 3,4-dimethoxy-
  • Veratraldehyde

Superlist Name

  • Veratraldehyde

Registry Numbers

CAS Registry Number

  • 120-14-9

FDA UNII

  • UI88P68JZD

System Generated Number

  • 0000120149

Structure Descriptors

InChI

1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3

InChIKey

WJUFSDZVCOTFON-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C=O)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3200mg/kg (3200mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
National Technical Information Service. Vol. OTS0533446,
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 923, 1975.
rat LD50 oral 2gm/kg (2000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 923, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43 deg C   EXP
Boiling Point 281 deg C   EXP
log P (octanol-water) 1.22 (none)   EXP
Water Solubility 6320 mg/L 25 EXP
Vapor Pressure 0.011 mm Hg 25 EST
Henry's Law Constant 4.70E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.80E-11 cm3/molecule-sec 25 EST

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