CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 24.0 [mmHg] |
| Kovats Retention Index | 762.4 755.95 759.7 757.28 758 760 755 759 743 755 763 759 762 765 760.2 761.5 762.7 763.8 758 759 760 762 763 765 763.2 763.3 755 763 762 762 762.8 764.1 763 762 748.4 754.7 760 760.6 759 758.3 760 760 755 755 762 761 764 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation H336:Specific target organ toxicity,single exposure; Narcotic effects H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. 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. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P391:Collect spillage. Hazardous to the aquatic environment P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.23 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 114.140850574 g/mol |
| Monoisotopic Mass | 114.140850574 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 42 |
| 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
3-Ethyl-2-methylpentane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. (L1296)