CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 556.5 554 548 557.6 562.7 558 558 558 556 557 558 558 559 559 558 557 561 557.8 558.2 558.4 558.8 559.2 559.3 559.7 559.9 560.5 560.6 560.8 561.2 549 556 560 548 584 555 554 559 563 557 559 606.4 560 546 555 591 592 592 563 |
|---|
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. P243:Take precautionary measures against static discharge. P280:Wear protective gloves/protective clothing/eye protection/face protection. P315:Get immediate medical advice/attention. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 84.16 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| 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 | 37.3 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |