CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Melting point = 20 deg C; [ChemIDplus] Crystalline solid; [Pfaltz and Bauer MSDS] |
---|---|
Kovats Retention Index | 1151 |
Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Flame Over Circle Oxidizers GHS03 Corrosion Corrosives GHS05 Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H227:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
Molecular Weight | 150.17 g/mol |
---|---|
XLogP3 | 2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 3 |
Exact Mass | 150.068079557 g/mol |
Monoisotopic Mass | 150.068079557 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 126 |
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 |