CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 21.7 [mmHg] |
| Kovats Retention Index | 770.2 764.08 767.6 765.5 768.08 765 766.04 767.33 768.12 768 764 769.6 767.2 765 770.5 770.5 770.5 770.6 770.6 771 771 769 771.1 767 769 771 768.4 769.3 770.2 771.2 766 767 768 769 770 771 770.5 770.5 770.8 770.8 764 769 769 769 773 772 768 770 774 771 770.2 772 772 756.3 768 769 767 768 765 771 770 769 771 |
| 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 | 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 | 40 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3,4-Dimethylhexane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. (L1296)