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| CAS No.: | 88-60-8 |
|---|---|
| Name: | 6-tert-Butyl-m-cresol |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H16O |
| Molecular Weight: | 164.247 |
| Synonyms: | m-Cresol,6-tert-butyl- (6CI,8CI);2-tert-Butyl-5-methylphenol;3-Methyl-6-tert-butylphenol;5-Methyl-2-tert-butylphenol;6-tert-Butyl-3-methylphenol;NSC 48467;Phenol,2-(1,1-dimethylethyl)-5-methyl-; |
| EINECS: | 201-842-3 |
| Density: | 0.961 g/cm3 |
| Melting Point: | 20 °C |
| Boiling Point: | 224 °C at 760 mmHg |
| Flash Point: | 105.6 °C |
| Solubility: | Insoluble in water |
| Appearance: | clear colorless viscous liquid |
| Hazard Symbols: |
 Xn, C
|
| Risk Codes: | 22-36/37/38-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3145 8/PG 3 |
| PSA: | 20.23000 |
| LogP: | 2.99810 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- 886364-44-91-(5-Bromo-3-pyridinyl)-2,2,2-trifluoroethanone
- 108-39-4
3-methyl-phenol
- 75-65-0
tert-butyl alcohol
A
- 88-60-8
2-tert-Butyl-5-methylphenol
B
- 497-39-2
4,6-di-tert-butyl-m-cresol
| Conditions | Yield |
|---|---|
| With carbon tetrabromide at 175℃; for 6h; Sealed tube; | A 74% B 8% |
| With carbon tetrabromide at 175℃; for 6h; Sealed tube; | A 56% B 36% |
| Conditions | Yield |
|---|---|
| With boron triiodide-N,N-diethylaniline In benzene for 3h; Ambient temperature; | 71% |
| Conditions | Yield |
|---|---|
| Stage #1: tert-butyl alcohol With sulfuric acid; urea at 10 - 25℃; Stage #2: 3-methyl-phenol at 0 - 20℃; | 60% |
| With phosphoric acid at 50 - 55℃; | |
| With 4 A molecular sieve at 250℃; Product distribution; Further Variations:; Reagents; | |
| With zinc(II) chloride |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; iron(III) chloride |
| Conditions | Yield |
|---|---|
| With phosphoric acid at 50 - 55℃; | |
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| With aluminium cresylate | |
| With hydrogenchloride; iron(III) chloride | |
| With aluminium(III) phenoxide at 100℃; for 2h; |
- 108-39-4
3-methyl-phenol
- 115-11-7
isobutene
A
- 88-60-8
2-tert-Butyl-5-methylphenol
B
- 497-39-2
4,6-di-tert-butyl-m-cresol
| Conditions | Yield |
|---|---|
| With sulfuric acid at 93℃; | |
| With sulfuric acid at 90℃; |
- 129167-74-4
2-bromo-1-(tert-butyl)-4-methylbenzene
- 594-19-4
tert.-butyl lithium
A
- 88-60-8
2-tert-Butyl-5-methylphenol
B
- 98-51-1
4-tert-butyltoluene
C
- 103391-77-1
3,4-di-t-butyltoluene
| Conditions | Yield |
|---|---|
| With Cu2Br2-Me2S; oxygen 1.) hexane, THF, -78 deg C, 1 h, 2.) from -78 deg to RT, 1 h; Multistep reaction; |
- 129167-74-4
2-bromo-1-(tert-butyl)-4-methylbenzene
A
- 88-60-8
2-tert-Butyl-5-methylphenol
B
- 98-51-1
4-tert-butyltoluene
C
- 103391-77-1
3,4-di-t-butyltoluene
| Conditions | Yield |
|---|---|
| With Cu2Br2-Me2S; tert.-butyl lithium; oxygen 1.) hexane, THF,-78 deg C, 1 h, 2.) from -78 deg C to RT, 1 h; Multistep reaction; | |
| With Cu2Br2-Me2S; tert.-butyl lithium; oxygen 1.) hexane, THF, -78 deg C, 1 h, 2.) from -78 deg C to RT, 1 h; Multistep reaction; |
- 78-83-1
2-methyl-propan-1-ol
- 86119-84-8, 7664-38-2
phosphoric acid
- 108-39-4
3-methyl-phenol
- 88-60-8
2-tert-Butyl-5-methylphenol
| Conditions | Yield |
|---|---|
| at 60 - 80℃; |
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Chemistry
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IUPAC Name: 2-tert-Butyl-5-methylphenol
Molecular Formula: C11H16O
Molecular Weight: 164.25 g/mol
Canonical SMILES: C(c1c(cc(C)cc1)O)(C)(C)C
InChI: InChI=1/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3
EINECS: 201-842-3
Product Categories: Industrial / Fine Chemicals; Miscellaneous; Organics
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: 105.6 °C
Enthalpy of Vaporization: 47.92 kJ/mol
Boiling Point: 224 °C at 760 mmHg
Melting Point: 20 °C
Solubility: Insoluble in water.
Vapour Pressure of 6-tert-Butyl-m-cresol (CAS NO.88-60-8): 0.0626 mmHg at 25 °C
Uses
6-tert-Butyl-m-cresol (CAS NO. 88-60-8) is used as organic synthesis intermediates,mainly for the production of phenolic antioxidants CA, antioxidant 300, antioxidant BBM.
Production
6-tert-Butyl-m-cresol (CAS NO. 88-60-8) is derived from reaction of M-Cresol with Isobutylene in the presence of Aluminum chloride . Reaction carried out in concentrated sulfuric acid, the reaction temperature is 310-320 ℃. Reaction is complete, after neutralization, distillation, deriving 6-tert-Butyl-m-cresol.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1080mg/kg (1080mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949. |
Safety Profile
Hazard Codes: 
Xn,
C
Risk Statements: 22-36/37/38-34
R22:Harmful if swallowed.
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 3145 8/PG 3
WGK Germany: 2
RTECS: SK1578180
HazardClass: 8
PackingGroup of 6-tert-Butyl-m-cresol (CAS NO.88-60-8): III
Specification
6-tert-Butyl-m-cresol (CAS NO.88-60-8), its Synonyms are 2-(1,1-Dimethylethyl)-5-methylphenol ; 2-tert-Butyl-5-methylphenol ; 3-Methyl-6-tert-butylphenol ; 5-Methyl-2-tert-butylphenol ; 6-tert-Butyl-3-methylphenol ; Benzene, 1-tert-butyl-2-hydroxy-4-methyl- ; Phenol, 2-(1,1-dimethylethyl)-5-methyl- ; Phenol, 2-tert-butyl-5-methyl- ; m-Cresol, 6-tert-butyl- (8CI) . It is clear colorless viscous liquid.