2094-99-7
Product Name:
3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE
Formula:
C13H15NO
Synonyms:
m -Isoprenyl-α,α′-dimethylbenzyl isocyanate;3-Isopropenyl-α,α′-dimethylbenzyl isocyanate
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H317:Sensitisation, Skin H330:Acute toxicity,inhalation H334:Sensitisation, respiratory H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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. |
COMPUTED DESCRIPTORS
| Molecular Weight | 201.26 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 201.115364102 g/mol |
| Monoisotopic Mass | 201.115364102 g/mol |
| Topological Polar Surface Area | 29.4 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 287 |
| 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 |