13925-05-8

Basic information

• Product Name: 2-Methyl-5-(1-methylethyl)pyrazine
• Synonyms: Femano.3919;5-isopropyl-2-methylpyrazine,2-methyl-5-(1-methylethyl)-pyrazine;Pyrazine, 2-methyl-5-(1-methylethyl)-;5-ISOPROPYL-2-METHYLPYRAZINE;2-METHYL-5-ISOPROPYLPYRAZINE;2-methyl-5-propan-2-yl-pyrazine;2-ETHYL-(5 OR 6)-METHYL PYRAZINE FEMA NO.3919;2-Isopropyl-5-methylpyrazine
• CAS NO: 13925-05-8
• Molecular Formula: C8H12N2
• Molecular Weight: 136.19
• Mol File: 13925-05-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 187.9 °C at 760 mmHg
• Flash Point: 70.7 °C
• Appearance: white solid
• Density: 0.957 g/cm³
• Vapor Pressure: 0.85mmHg at 25°C
• Refractive Index: 1.494
• PKA: 1.85±0.10(Predicted)
• CAS DataBase Reference: 2-Methyl-5-(1-methylethyl)pyrazine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methyl-5-(1-methylethyl)pyrazine(13925-05-8)
• EPA Substance Registry System: 2-Methyl-5-(1-methylethyl)pyrazine(13925-05-8)

Safety Data

• Hazardous Substances Data: 13925-05-8(Hazardous Substances Data)

Usage

Occurrence

Reported found in cocoa, coffee and cooked trassi.

InChI:InChI=1/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3

Upstream product

• 109-08-0 2-Methylpyrazine 
• 67-64-1 acetone 
• 116513-22-5 2-chloro-3-isopropyl-6-methylpyrazine 1-oxide 
• 116513-24-7 2-methyl-5-isopropylpyrazine 1-oxide 
• 116513-20-3 2-chloro-3-isopropyl-6-methylpyrazine 

Relevant articles and documents

Supersonic jet studies of alkyl-substituted pyrazines and pyridines. Minimum energy conformations and torsional motion

Conformational reference for methyl-, ethyl-, propyl-, and isoproply-substituted pyrazines and pyridines are determined by mass resolved excitation spectroscopy (MRES) and MOPAC 5/PM3 semiempirical calculations. The results of these studies suggest that the conformational behavior of alkyl-substituted pyrazines and pyridines is different from that of alkyl-subtituted benzenes. Based on the experimental and semiempirical theoretical results reported herein and published ab initio calculations, this difference can be attributed to a stabilizing interaction between an α-hydrogen atom of alkyl subsituted and the adjacent lone pair nonbonding electrons on the ring nitrogen atom.

Research on the aromas. On the aroma of coffee. II. Pyrazines and pyridines

-