732-26-3
Product Name:
2,4,6-Tri-tert-butylphenol
Formula:
C18H30O
Synonyms:
P23;p35;p35nck5a;PSSALRE;Rosenthal fiber component
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; Other Solid |
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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 |
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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 |
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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 |