CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 620.8 603.75 615.32 615.42 615 619.2 619.7 620 620.2 622.2 622 620 620 620.6 620.9 620 620 619 619 620 620 620 620 620 619 619.6 620.4 620.8 621 621.2 621.2 621.5 621.7 622 622 622.5 623 612 608 612 617 618 613 618 618 614.2 620 620 620 611 613 627 611 589.52 608 610.2 610.54 611 610 610 610 610 610 610 610 611 610 610 610.6 610.9 610.9 611 611 611 611.3 611.3 612 612.7 613.4 617 615 619 607 608 616.2 615.2 611 609 610 610 611 611 610 614 |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 84.16 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 84.093900383 g/mol |
| Monoisotopic Mass | 84.093900383 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 51.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |