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732-26-3

732-26-3 structural image
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
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