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Cas Database |
| Name |
4-tert-Butyl-2-methylphenol |
EINECS | 202-651-8 |
| CAS No. | 98-27-1 | Density | 0.961 g/cm3 |
| PSA | 20.23000 | LogP | 2.99810 |
| Solubility | N/A | 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 | N/A | Appearance | N/A |
| 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 |
Article Data | 35 |
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.gif){kind=small}
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- .
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