CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to slightly yellow liquid with a green bell pepper, green pea odour |
|---|---|
| Solubility | soluble in water, organic solvents, oils |
| Density | 0.983-1.003 |
| Refractive Index | 1.487-1.497 |
| Kovats Retention Index | 1170 1208 1156 1176 1163 1160 1211 1175 1164 1166 1166.1 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 166.22 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 166.110613074 g/mol |
| Monoisotopic Mass | 166.110613074 g/mol |
| Topological Polar Surface Area | 35 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 128 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Isobutyl-3-methoxypyrazine is a natural product found in Danaus plexippus, Zingiber mioga, and other organisms with data available.