CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [TCI America MSDS] |
|---|---|
| Vapor Pressure | 32.1 [mmHg] |
| Kovats Retention Index | 732 726.9 726.9 733 730 727.92 729.78 730.95 730.8 730 736 733.4 734.3 735.1 735.9 736 736 734 734 734 738 734 736 739 734 732 737 734.2 739 739 732 730 737 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation H336:Specific target organ toxicity,single exposure; Narcotic effects H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. P312:Call a POISON CENTER or doctor/physician if you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.23 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| 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 | 56.9 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2,2,3-Trimethylpentane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. (L1296)