CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 105.0 [mmHg] |
| Kovats Retention Index | 621.4 615.96 616.7 620.5 618.59 618.6 619 620 618 622.4 624.1 624.25 621 621.8 625.6 625.6 625.7 625.7 625.7 628 625 626 624.8 628.1 626 626 627 623.8 624.8 625.1 626 625 626 626 626 627 627 625.6 625.7 625 618 624 625 625 626 626 623.1 623.4 624.1 624.6 625 625.6 625.7 626.5 627 627.2 628.3 629.7 624 626 627 627.79 628.51 629.7 630.4 631.7 622 623 628 619 628 659 618.8 627 626 626.2 629.5 620 627 620.5 626 626 617.7 623 624 621 669 626 626 624 626 635 622 |
| 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 | 100.20 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 100.125200510 g/mol |
| Monoisotopic Mass | 100.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 38.5 |
| 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
2,2-Dimethylpentane is a natural product found in Perilla frutescens with data available.