4-tert-Butyl-2-methylphenol supplier

Name
4-TERT-BUTYL-2-METHYLPHENOL
EINECS 202-651-8
CAS No. 98-27-1
Article Data35
CAS DataBase
Density 0.961 g/cm³
Solubility
Melting Point 28-33 °C
Formula C11H16 O
Boiling Point 244.6 °C at 760 mmHg
Molecular Weight 164.247
Flash Point 109.9 °C
Transport Information
Appearance
Safety Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Codes 34
Molecular Structure
Hazard Symbols
Synonyms o-Cresol,4-tert-butyl- (6CI,7CI,8CI); 2-Methyl-4-tert-butylphenol;4-tert-Butyl-2-methylphenol; 4-tert-Butyl-o-cresol; NSC 8477; NSC 98355;p-tert-Butyl-2-methylphenol; p-tert-Butyl-o-cresol
PSA 20.23000
LogP 2.99810

4-tert-Butyl-2-methylphenol Chemical Properties

Molecular Formula: C₁₁H₁₆O
Molar mass: 164.2441 g/mol
EINECS: 202-651-8
Density: 0.961 g/cm³
Flash Point: 109.9 °C
Index of Refraction: 1.513
Boiling Point: 244.6 °C at 760 mmHg
Vapour Pressure: 0.0193 mmHg at 25°C
Storage temp: 0-6°C
Structure of 4-tert-Butyl-2-methylphenol (98-27-1):

XLogP3-AA: 3.6
H-Bond Donor: 1
H-Bond Acceptor: 1
Systematic Name of 4-tert-Butyl-2-methylphenol (98-27-1): 4-tert-Butyl-2-methyl-phenol
SMILES: Oc1ccc(cc1C)C(C)(C)C
InChI: InChI=1/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3
InChIKey: SNKLPZOJLXDZCW-UHFFFAOYAI
Std. InChI: InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3
Std. InChIKey: SNKLPZOJLXDZCW-UHFFFAOYSA-N

4-tert-Butyl-2-methylphenol Toxicity Data With Reference

1.		ipr-mus LD50:81 mg/kg		JMCMAR Journal of Medicinal Chemistry. 18 (1975),868.
2.		ivn-mus LD50:180 mg/kg		JMCMAR Journal of Medicinal Chemistry. 23 (1980),1350.

4-tert-Butyl-2-methylphenol Consensus Reports

Reported in EPA TSCA Inventory.

4-tert-Butyl-2-methylphenol Safety Profile

Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.

Hazard Codes: C
Risk Statements:
34: Causes burns
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

4-tert-Butyl-2-methylphenol Specification

4-tert-Butyl-2-methylphenol (98-27-1) also can be called 4-tert-Butyl-2-methyl-phenol ; 4-tert-Butyl-o-cresol ; 2-Methyl-4-tert-butylphenol ; Phenol, 4-tert-butyl-2-methyl- ; p-tert-Butyl-o-cresol and Phenol, 4-(1,1-dimethylethyl)-2-methyl- .

Product Name

4-TERT-BUTYL-2-METHYLPHENOL

4-tert-Butyl-2-methylphenol Chemical Properties

4-tert-Butyl-2-methylphenol Toxicity Data With Reference

4-tert-Butyl-2-methylphenol Consensus Reports

4-tert-Butyl-2-methylphenol Safety Profile

4-tert-Butyl-2-methylphenol Specification

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