4,6-DI-TERT-BUTYL-M-CRESOL

Molecule structure of 4,6-Di-tert-butyl-m-cresol (CAS NO.497-39-2) :

IUPAC Name: 2,4-ditert-butyl-5-methylphenol 
Molecular Weight: 220.35046 g/mol
Molecular Formula: C₁₅H₂₄O
Density: 0.927 g/cm³
Melting Point: 62 °C
Boiling Point: 283.9 °C at 760 mmHg
Flash Point: 127.7 °C
Storage temp.: refrigerator
Merck: 2837 
Molar Volume: 237.5 cm³
Polarizability: 27.64*10^-24 cm³
Surface Tension: 30 dyne/cm 
Enthalpy of Vaporization: 54.38 kJ/mol
Vapour Pressure: 0.0018 mmHg at 25 °C 
log P (octanol-water): 5.880 (none)
Atmospheric OH Rate Constant: 1.27E-10 cm³/molecule-sec at 25 °C
XLogP3-AA: 5.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Tautomer Count: 9
Exact Mass: 220.182715
MonoIsotopic Mass: 220.182715
Topological Polar Surface Area: 20.2
Heavy Atom Count: 16
Complexity: 231
Canonical SMILES: CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O
InChI: InChI=1S/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H3
InChIKey: WYSSJDOPILWQDC-UHFFFAOYSA-N
EINECS: 207-847-7

Reported in EPA TSCA Inventory.

Moderately toxic by ingestion. Combustible when exposed to heat or flame. Can react with oxidizing materials. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also CRESOL.
Risk Statements: 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RTECS: GO7800000

 4,6-Di-tert-butyl-m-cresol (CAS NO.497-39-2) is also called 4,6-Di-tert-butyl-3-methylphenol ; 2,4-Di-tert-butyl-5-hydroxytoluene ; 2,4-Di-tert-butyl-5-methylphenol ; 2,4-Bis(1,1-dimethylethyl)-5-methyl-pheno ; 2,4-Bis-(1,1-dimethylethyl)-5-methyl-phenol .