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| CAS No.: | 2409-55-4 |
|---|---|
| Name: | 2-tert-Butyl-4-methylphenol |
| Article Data: | 64 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C11H16O |
| Molecular Weight: | 164.247 |
| Synonyms: | p-Cresol,2-tert-butyl- (6CI,8CI);2-tert-Butyl-4-cresol;2-tert-Butyl-p-cresol;4-Methyl-2-(1,1-dimethylethyl)phenol;4-Methyl-2-tert-butylphenol;4-Methyl-6-tert-butylphenol;o-tert-Butyl-p-cresol;Phenol,2-(1,1-dimethylethyl)-4-methyl-; |
| EINECS: | 219-314-6 |
| Density: | 0.961 g/cm3 |
| Melting Point: | 50-52 °C(lit.) |
| Boiling Point: | 237 °C at 760 mmHg |
| Flash Point: | 102.5 °C |
| Solubility: | insoluble in water |
| Appearance: | white to yellow-beige crystalline mass |
| Hazard Symbols: |
 C,  N
|
| Risk Codes: | 34-37-51/53 |
| Safety: | 26-36/37/39-45-61-29 |
| Transport Information: | UN 2430 8/PG 3 |
| PSA: | 20.23000 |
| LogP: | 2.99810 |
p-cresol
tert-butyl alcohol
A
2-tert-Butyl-4-methylphenol
B
2,6-di-tert-butyl-4-methyl-phenol
| Conditions | Yield |
|---|---|
| at 70℃; for 8h; Kinetics; Concentration; Reagent/catalyst; Temperature; Time; Friedel-Crafts alkylation; Ionic liquid; Autoclave; regioselective reaction; | A 90% B 9.5% |
| With carbon tetrabromide at 175℃; for 6h; Sealed tube; | A 68% B 29% |
| With carbon tetrabromide at 175℃; for 6h; Sealed tube; | A 62% B 38% |
| 1-butyl-3-methylimidazolium heptachlorodiindate (III) at 110℃; for 4h; Product distribution / selectivity; In ionic liquid; | |
| With multi-walled carbon nanotubes supported on SO3H In neat (no solvent) for 10h; Reagent/catalyst; Reflux; | A 85.6 %Chromat. B 6.7 %Chromat. |
2-tert-Butyl-4-methylphenol
| Conditions | Yield |
|---|---|
| With tert.-butyl lithium In tetrahydrofuran; pentane at -78℃; for 0.5h; | 88% |
| Conditions | Yield |
|---|---|
| With sulfated zirconia at 140℃; for 1h; | 86% |
| With phosphoric acid at 85 - 90℃; | |
| With sulfuric acid at 60℃; |
2-tert-Butyl-4-methylphenol
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane for 3h; Product distribution; Heating; deprotection; | 85% |
2-tert-Butyl-4-methylphenol
| Conditions | Yield |
|---|---|
| With sodium hydride; bis(pinacol)diborane In 1,2-dichloro-ethane at 70℃; for 12h; Inert atmosphere; | 71% |
| Conditions | Yield |
|---|---|
| With iron(III) chloride In tetrachloromethane at 80℃; for 4h; Alkylation; | 67% |
| Conditions | Yield |
|---|---|
| at 300℃; for 12h; | 55% |
| at 300℃; for 12h; Product distribution; 270 deg C, 6 h;; | 55% |
2,6-di-tert-butyl-4-methyl-phenol
acetonitrile
A
N-tert-butylacetamide
B
2-tert-Butyl-4-methylphenol
C
2,5-dimethyl-7-tert-butyl-1,3-benzoxazole
D
tert-butyl alcohol
| Conditions | Yield |
|---|---|
| With thianthrene cation radical perchlorate Further byproducts given; | A 18% B 5.6% C 43% D 53% |
2,6-di-tert-butyl-4-methyl-phenol
phenol
A
p-cresol
B
para-tert-butylphenol
C
2-tert-Butyl-4-methylphenol
D
2,6-di-tert-butylphenol
E
2-tert-Butylphenol
F
2,4-di-tert-Butylphenol
| Conditions | Yield |
|---|---|
| C24H20ClNbO4 at 140℃; for 3h; Product distribution; Rate constant; Mechanism; also with 2-methylphenol, other catalysts, other products; | A 14% B 8% C 30.5% D 2% E 20% F 15% |
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IUPAC Name: 2-tert-Butyl-4-methylphenol
Molecular Formula: C11H16O
Molecular Weight: 164.25 g/mol
Canonical SMILES: C(c1c(ccc(c1)C)O)(C)(C)C
InChI: InChI=1/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
EINECS: 219-314-6
Classification Code: Mutation data; Skin / Eye Irritant; Tumor data
Product Categories: Industrial / Fine Chemicals
Melting Point: 50-52 °C(lit.)
solubility: methanol: 0.1 g/mL, clear
Water Solubility: insoluble
Index of Refraction: 1.513
Molar Refractivity: 51.34 cm3
Molar Volume: 170.8 cm3
Polarizability: 20.35×10-24 cm3
Surface Tension: 32.5 dyne/cm
Density: 0.961 g/cm3
Flash Point: 102.5 °C
Enthalpy of Vaporization: 49.3 kJ/mol
Boiling Point: 237 °C at 760 mmHg
Vapour Pressure of 2-tert-Butyl-4-methylphenol (CAS NO.2409-55-4): 0.0299 mmHg at 25 °C
2-tert-Butyl-4-methylphenol (CAS NO.2409-55-4) is used as organic synthesis intermediate for the production of antioxidant 2246, antioxidant 2246-S, ultraviolet absorbent UV-326, antioxidant 2246 series UV absorber UV-326 and other manufacturing.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 940mg/kg (940mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: TREMOR BEHAVIORAL: COMA | National Technical Information Service. Vol. OTS0571339, |
| guinea pig | LD50 | oral | 1180mg/kg (1180mg/kg) | BEHAVIORAL: SLEEP BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 12, Pg. 124, 1971. |
| mouse | LD50 | intraperitoneal | 144mg/kg (144mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975. | |
| mouse | LD50 | intravenous | 10mg/kg (10mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03020, | |
| mouse | LD50 | oral | 700mg/kg (700mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949. |
| rabbit | LDLo | oral | 2100mg/kg (2100mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: TREMOR BEHAVIORAL: COMA | National Technical Information Service. Vol. OTS0571339, |
| rabbit | LDLo | skin | 2200mg/kg (2200mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949. | |
| rat | LD50 | oral | 2500mg/kg (2500mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 12, Pg. 124, 1971. |
Reported in EPA TSCA Inventory.
A poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and skin contact. Questionable carcinogen with experimental neoplastigenic data. A severe skin and eye irritant. Mutation data reported. Flammable liquid when exposed to heat, flame, or oxidizers. To fight fire, use alcohol foam, foam, water spray, fog, dry chemical. When heated to decomposition it emits acrid and irritating fumes.
Hazard Codes: 
C,
N
Risk Statements:34-37-51/53
R34: Causes burns ;
R37:Irritating to the respiratory system ;
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment ;
Safety Statements:26-36/37/39-45-61-29
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 ;
S45:In case of accident or if you feel unwell, seek medical advice immediately(show label where possible) ;
S61:Avoid release to the environment. Refer to special instructions safety data sheet ;
S29:Do not empty into drains ;
RIDADR:UN 2430 8/PG 3
WGK Germany:2
RTECS:GO7000000
F:8-9-23
HazardClass:8
PackingGroup of 2-tert-Butyl-4-methylphenol (CAS NO.2409-55-4): III
2-tert-Butyl-4-methylphenol (CAS NO.2409-55-4), its Synonyms are 2-t-Butyl-4-methylphenol ; 1-Hydroxy-2-tert-butyl-4-methylbenzene ; 2-(1,1-Dimethylethyl)-4-methylphenol ; 2-t-Butyl-p-cresol ; 2-terc.Butyl-p-kresol ; Phenol, 2-(1,1-dimethylethyl)-4-methyl- ; p-Cresol, 2-tert-butyl- . It is white to yellow-beige crystalline mass.
