CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liqiud; [Alfa Aesar MSDS] |
|---|---|
| Vapor Pressure | 27.1 [mmHg] |
| Kovats Retention Index | 743.63 747.6 757.7 744.8 748 745 748 743 747.1 750.2 746.7 743 745 765.6 771.3 752 743 752 748 750 754 748.4 749.8 751.2 752.7 747 748 749 750 752 754 751.9 751.9 743 750 750 750 747.7 748.2 748.3 749.3 749.7 750.1 751.1 751.3 752 752.9 754.6 756.4 754 754 750 750 752 752 754 752 750 757 752 754 750.8 741.8 754 737.5 746.6 748 748 746.3 746 748 746 743 751 752 743 744 750 749 752 750 761 761 |
| 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. P273:Avoid release to the environment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.23 g/mol |
|---|---|
| XLogP3 | 3.7 |
| 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 | 45.1 |
| 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
2,3,4-trimethylpentane is an alkane that is pentane substituted by a methyl group at positions 2,3 and 4. It is a constituent of gasoline. It has a role as a mammalian metabolite and a nephrotoxic agent. It is an alkane and a volatile organic compound.