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Substance Name: 2,3,5-Trimethylpyrazine
RN: 14667-55-1
UNII: Q8PR0W8TIT
InChIKey: IAEGWXHKWJGQAZ-UHFFFAOYSA-N

Note

  • Key aroma compound in beef extract.

Molecular Formula

  • C7-H10-N2

Molecular Weight

  • 122.17
 
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Names and Synonyms

Name of Substance

  • 2,3,5-Trimethylpyrazine

Synonyms

  • 2,3,5-Trimethyl pyrazine
  • 2,3,5-Trimethyl pyrazine (natural)
  • 2,3,5-Trimethylpyrazine
  • 2,3,6-Trimethylpyrazine
  • 5-23-05-00419 (Beilstein Handbook Reference)
  • AI3-34442
  • BRN 0002423
  • CCRIS 2932
  • EINECS 238-712-0
  • FEMA No. 3244
  • Pyrazine, trimethyl-
  • Trimethylpyrazine
  • UNII-Q8PR0W8TIT

Systematic Names

  • 2,3,5-Trimethylpyrazine
  • Pyrazine, 2,3,5-trimethyl-
  • Pyrazine, trimethyl-
  • Trimethylpyrazine

Superlist Name

  • Trimethylpyrazine

Registry Numbers

CAS Registry Number

  • 14667-55-1

FDA UNII

  • Q8PR0W8TIT

Other Registry Number

  • 124765-77-1

System Generated Number

  • 0014667551

Structure Descriptors

InChI

InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3

InChIKey

IAEGWXHKWJGQAZ-UHFFFAOYSA-N

Smiles

Cc1cnc(C)c(C)n1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 806mg/kg (806mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 171.5 deg C   EXP
pKa Dissociation Constant 2.8 (none) 27 EXP
log P (octanol-water) 0.95 (none)   EXP
Water Solubility 1.52E+04 mg/L 25 EST
Vapor Pressure 0.608 mm Hg 25 EST
Henry's Law Constant 3.92E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.33E-12 cm3/molecule-sec 25 EST

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