CAS No.497-39-2,4,6-DI-TERT-BUTYL-M-CRESOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	497-39-2
Name:	4,6-DI-TERT-BUTYL-M-CRESOL
Article Data:	6

Formula:	C15H24 O
Molecular Weight:	220.355
Synonyms:	m-Cresol,4,6-di-tert-butyl- (8CI); 2,4-Di-tert-butyl-5-methylphenol;3-Methyl-4,6-di-tert-butylphenol; 4,6-Di-tert-butyl-3-methylphenol;4,6-Di-tert-butyl-m-cresol; DBMC; Di-tert-Butyl-m-cresol
Density:	0.927g/cm3
Melting Point:	62°C
Boiling Point:	284oC
Flash Point:	128oC
Risk Codes:	20/21/22-36/37/38
Safety:	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.
PSA:	20.23000
LogP:	4.29560

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Chemistry

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

Toxicity Data With Reference

orl-mus LD50:1420 mg/kg

JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),366.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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

Specification

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 .