732-26-3
Product Name:
2,4,6-Tri-tert-butylphenol
Formula:
C18H30O
Synonyms:
P23;p35;p35nck5a;PSSALRE;Rosenthal fiber component
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Other Solid |
|---|---|
| Color/Form | Crystals from alcohol, petroleum ether |
| Boiling Point | 278 °C |
| Melting Point | 131 °C |
| Flash Point | 130.00 °C (266.00 °F) (closed cup) |
| Solubility | Soluble in most organic solvents |
| Density | 0.864 g/cu cm at 27 °C |
| Vapor Pressure | 0.000661 [mmHg] |
| LogP | log Kow = 6.06 |
| Stability/Shelf Life | Storage stability: Stable under recommended storage conditions. Materials to avoid: Bases, Acid chlorides, Acid anhydrides, Oxidizing agents, Brass, Copper. Hazardous decomposition products... - Carbon oxides. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| Ionization Efficiency | Negative |
| Dissociation Constants | pKa = 12.19 |
| Chemical Classes | Other Classes -> Phenols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 262.4 g/mol |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 262.229665576 g/mol |
| Monoisotopic Mass | 262.229665576 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 273 |
| 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 |