Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4,6-Di-tert-butyl-2-methylphenol |
EINECS | 210-485-2 |
CAS No. | 616-55-7 | Density | 0.927 g/cm3 |
PSA | 20.23000 | LogP | 4.29560 |
Solubility | N/A | Melting Point |
50-52oC |
Formula | C15H24O | Boiling Point | 269 ºC at 760 mmHg |
Molecular Weight | 220.355 | Flash Point | 123 ºC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
o-Cresol,4,6-di-tert-butyl- (8CI);2,4-Di-tert-butyl-6-methylphenol;2-Methyl-4,6-di-tert-butylphenol;4,6-Di-tert-butyl-2-methylphenol;4,6-Di-tert-butyl-o-cresol; |
Article Data | 22 |
2,4-di-tert-butyl-6-hydroxymethylphenol
A
2,4-di-tert-butyl-6-methylphenol
B
6,6'-(ethane-1,2-diyl)bis(2,4-di-tert-butylphenol)
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran; chlorobenzene for 4h; Heating; | A 68% B 16% |
With lithium aluminium tetrahydride In tetrahydrofuran; chlorobenzene for 4h; Heating; | A 10% B 66% |
ortho-cresol
tert-butyl alcohol
A
2-Methyl-4-t-butylphenol
B
2-tert-Butyl-6-methylphenol
C
2,4-di-tert-butyl-6-methylphenol
Conditions | Yield |
---|---|
With carbon tetrabromide at 175℃; for 6h; Sealed tube; | A 68% B 3% C 27% |
With carbon tetrabromide at 175℃; for 6h; Sealed tube; | A 39% B 8% C 51% |
2,4-di-tert-butyl-6-methylaniline hydrochloride
2,4-di-tert-butyl-6-methylphenol
Conditions | Yield |
---|---|
With sulfuric acid; sodium nitrite |
Conditions | Yield |
---|---|
With aluminium trichloride at 105℃; |
Conditions | Yield |
---|---|
With sulfuric acid | |
With sulfuric acid In benzene |
Conditions | Yield |
---|---|
With sulfuric acid |
t-butyl bromide
6-acetoxy-2-tert-butyl-6-methyl-cyclohexa-2,4-dienone
2,4-di-tert-butyl-6-methylphenol
Conditions | Yield |
---|---|
In diethyl ether |
ortho-cresol
isobutene
A
2-Methyl-4-t-butylphenol
B
2-tert-Butyl-6-methylphenol
C
2,4-di-tert-butyl-6-methylphenol
Conditions | Yield |
---|---|
With aluminium(III) phenoxide at 100℃; for 2h; |
2-Methyl-4-t-butylphenol
2-tert-Butyl-6-methylphenol
A
2,4-di-tert-butyl-6-methylphenol
B
ortho-cresol
Conditions | Yield |
---|---|
In neat (no solvent) at 79.9 - 179.9℃; Equilibrium constant; effect of temperature; |
2,6-di-tert-butyl-4-methyl-phenol
ortho-cresol
A
p-cresol
B
2-tert-Butyl-4-methylphenol
C
2-tert-Butyl-6-methylphenol
D
2,4-di-tert-butyl-6-methylphenol
Conditions | Yield |
---|---|
sulfuric acid at 80℃; for 8h; Yield given. Further byproducts given. Yields of byproduct given; |
The 2,4-Ditert-butyl-6-methylphenol, with its CAS registry number 616-55-7, has the systematic name of Phenol, 2,4-bis(1,1-dimethylethyl)-6-methyl-. And it is usually used as the intermediates of organic synthesis, bio-pharmaceuticals, and pharmaceutics.
The physical properties of this chemical are as below: (1)ACD/LogP: 5.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.32; (4)ACD/LogD (pH 7.4): 5.32; (5)ACD/BCF (pH 5.5): 6489.36; (6)ACD/BCF (pH 7.4): 6489.17; (7)ACD/KOC (pH 5.5): 18636.56; (8)ACD/KOC (pH 7.4): 18635.99; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 69.73 cm3; (15)Molar Volume: 237.5 cm3; (16)Polarizability: 27.64×10-24 cm3; (17)Surface Tension: 30 dyne/cm; (18)Density: 0.927 g/cm3; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 52.75 kJ/mol; (21)Boiling Point: 269 °C at 760 mmHg; (22)Vapour Pressure: 0.0045 mmHg at 25°C; (23)Exact Mass: 220.182715; (24)MonoIsotopic Mass: 220.182715; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 16; (27)Complexity: 231.
Use of this chemical: 2,4-Ditert-butyl-6-methylphenol could react to produce 2,4-di-t-butyl-6-methyl-4-nitrocyclohexa-2,5-dienone. This reaction could happen in the presence of the reagent of HNO3 and the solvent of acetic acid, and it needs the reaction temperature of 5 ℃ with its yield of 40%.
Production method of this chemical: 3,5-di-tert-butyl-2-hydroxy-benzyl alcohol could react to produce 3,5,3',5'-tetra-tert-butyl-bibenzyl-2,2'-diol and 2,4-Ditert-butyl-6-methylphenol. This reaction could happen in the presence of the reagent of LiAlH4 and the solvent of chlorobenzene and tetrahydrofuran. And it needs the reaction temperature of 4 hours with its yield of 68%.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)O
(2)InChI: InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9,16H,1-7H3
(3)InChIKey: ZZZRZBIPCKQDQR-UHFFFAOYSA-N