CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 22.7 [mmHg] |
| Kovats Retention Index | 784.2 778.31 782.5 791.12 779.57 780 778 780.3 789.8 783 795 779.8 782.6 785.4 788.5 786.1 786.5 778 782 783 783 784 782 780 783 774.8 779 780 787 782 788 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H225:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.21 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.125200510 g/mol |
| Monoisotopic Mass | 112.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 64.1 |
| 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
1,1-Dimethylcyclohexane is a natural product found in Solanum lycopersicum and Cynara cardunculus with data available.