2-tert-Butyl-4-methylphenol supplier

Name
2-tert-Butyl-4-methylphenol
EINECS 219-314-6
CAS No. 2409-55-4
Article Data64
CAS DataBase
Density 0.961 g/cm³
Solubility insoluble in water
Melting Point 50-52 °C(lit.)
Formula C₁₁H₁₆O
Boiling Point 237 °C at 760 mmHg
Molecular Weight 164.247
Flash Point 102.5 °C
Transport Information UN 2430 8/PG 3
Appearance white to yellow-beige crystalline mass
Safety 26-36/37/39-45-61-29
Risk Codes 34-37-51/53
Molecular Structure
Hazard Symbols C, N
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-;
PSA 20.23000
LogP 2.99810

Synthetic route

: 106-44-5
p-cresol

: 75-65-0
tert-butyl alcohol

A: 2409-55-4
2-tert-Butyl-4-methylphenol

B: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

Conditions

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.

...Expand

: 2-tert-butyl-4-methyl-1-(2-phenylallyloxy)benzene

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
With tert.-butyl lithium In tetrahydrofuran; pentane at -78℃; for 0.5h;	88%

: 106-44-5
p-cresol

: 75-65-0
tert-butyl alcohol

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
With sulfated zirconia at 140℃; for 1h;	86%
With phosphoric acid at 85 - 90℃;
With sulfuric acid at 60℃;

: Carbonic acid tert-butyl ester 2-tert-butyl-4-methyl-phenyl ester

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane for 3h; Product distribution; Heating; deprotection;	85%

: 2-(tert-butyl)-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
With sodium hydride; bis(pinacol)diborane In 1,2-dichloro-ethane at 70℃; for 12h; Inert atmosphere;	71%

: 75-91-2
tert.-butylhydroperoxide

: 106-44-5
p-cresol

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
With iron(III) chloride In tetrachloromethane at 80℃; for 4h; Alkylation;	67%

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
at 300℃; for 12h;	55%
at 300℃; for 12h; Product distribution; 270 deg C, 6 h;;	55%

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 75-05-8
acetonitrile

A: 762-84-5
N-tert-butylacetamide

B: 2409-55-4
2-tert-Butyl-4-methylphenol

C: 139656-59-0
2,5-dimethyl-7-tert-butyl-1,3-benzoxazole

D: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With thianthrene cation radical perchlorate Further byproducts given;	A 18% B 5.6% C 43% D 53%

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 108-95-2
phenol

A: 106-44-5
p-cresol

B: 98-54-4
para-tert-butylphenol

C: 2409-55-4
2-tert-Butyl-4-methylphenol

D: 128-39-2
2,6-di-tert-butylphenol

E: 88-18-6
2-tert-Butylphenol

F: 96-76-4
2,4-di-tert-Butylphenol

Conditions

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%

...Expand

: 105-67-9
2,4-Xylenol

: 75-65-0
tert-butyl alcohol

A: 2409-55-4
2-tert-Butyl-4-methylphenol

B: 1879-09-0
2,4-dimethyl-6-tert-butylphenol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 3h; Heating;	A 83 g B 25.8%
With toluene-4-sulfonic acid In benzene for 3h; Heating;	A 83 mg B 25.8%

...Expand

: tert-Butyl-(2-tert-butyl-4-methyl-phenoxy)-dimethyl-silane

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
With dichloro bis(acetonitrile) palladium(II) In water; acetone at 75℃; for 48h;	10%

: 106-44-5
p-cresol

: 507-20-0
tertiary butyl chloride

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
at 45℃; Kinetics;

: 15359-98-5
4-(tert-butoxy)toluene

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
With sulfuric acid at 90℃;

: 106-44-5
p-cresol

: 115-11-7
isobutene

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
AShNTs-3 zeolite at 239.9 - 269.9℃; Equilibrium constant; Thermodynamic data;
With acid ion exchanger
With aluminium tris(p-methylphenoxide)
With sulfuric acid
With zeolite catalyst H-USY at 80℃; for 8h;

: 106-44-5
p-cresol

: 115-11-7
isobutene

A: 2409-55-4
2-tert-Butyl-4-methylphenol

B: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

Conditions

Conditions	Yield
With sulfuric acid; glycerol at 20 - 100℃;
With sulfuric acid; glycerol at 70℃;
With acidic ion exchanger

...Expand

: 106-44-5
p-cresol

: 98-54-4
para-tert-butylphenol

A: 2409-55-4
2-tert-Butyl-4-methylphenol

B: 108-95-2
phenol

Conditions

Conditions	Yield
cation-exchangers KU-23; protonic acid at 129.9℃; Equilibrium constant; diff. temp.;

...Expand

: 106-44-5
p-cresol

: 96-76-4
2,4-di-tert-Butylphenol

A: 98-54-4
para-tert-butylphenol

B: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
cation-exchangers KU-23; protonic acid at 129.9℃; Equilibrium constant; diff. temp.;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

A: 106-44-5
p-cresol

B: 2409-55-4
2-tert-Butyl-4-methylphenol

C: 115-11-7
isobutene

Conditions

Conditions	Yield
With phosphotungstic acid In acetic acid at 140℃; Rate constant; Product distribution; other temperatures, solvents, catalysts; catalysis of dealkylation of 2,6-di-tert-butylphenol derivatives by heteropoly acids;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 95-48-7
ortho-cresol

A: 106-44-5
p-cresol

B: 98-27-1
2-Methyl-4-t-butylphenol

C: 2409-55-4
2-tert-Butyl-4-methylphenol

D: 2219-82-1
2-tert-Butyl-6-methylphenol

Conditions

Conditions	Yield
C24H20ClNbO4 at 140℃; for 3h; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 95-48-7
ortho-cresol

A: 106-44-5
p-cresol

B: 2409-55-4
2-tert-Butyl-4-methylphenol

C: 2219-82-1
2-tert-Butyl-6-methylphenol

D: 616-55-7
2,4-di-tert-butyl-6-methylphenol

Conditions

Conditions	Yield
sulfuric acid at 80℃; for 8h; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 95-48-7
ortho-cresol

A: 98-27-1
2-Methyl-4-t-butylphenol

B: 2409-55-4
2-tert-Butyl-4-methylphenol

C: 2219-82-1
2-tert-Butyl-6-methylphenol

D: 616-55-7
2,4-di-tert-butyl-6-methylphenol

Conditions

Conditions	Yield
sulfuric acid at 80℃; for 1h; Yield given. Further byproducts given. Yields of byproduct given;
sulfuric acid at 80℃; for 2h; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 108-95-2
phenol

A: 106-44-5
p-cresol

B: 98-54-4
para-tert-butylphenol

C: 2409-55-4
2-tert-Butyl-4-methylphenol

D: 96-76-4
2,4-di-tert-Butylphenol

Conditions

Conditions	Yield
C24H20ClNbO4 at 140℃; for 3h; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 108-95-2
phenol

A: 106-44-5
p-cresol

B: 2409-55-4
2-tert-Butyl-4-methylphenol

C: 88-18-6
2-tert-Butylphenol

D: 96-76-4
2,4-di-tert-Butylphenol

Conditions

Conditions	Yield
C24H20ClNbO4 at 140℃; for 1h; Yield given. Further byproducts given. Yields of byproduct given;
C24H20ClNbO4 at 140℃; for 3h; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 108-95-2
phenol

A: 2409-55-4
2-tert-Butyl-4-methylphenol

B: 128-39-2
2,6-di-tert-butylphenol

C: 88-18-6
2-tert-Butylphenol

D: 96-76-4
2,4-di-tert-Butylphenol

Conditions

Conditions	Yield
C24H20ClNbO4 at 140℃; for 1h; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 108-95-2
phenol

A: 2409-55-4
2-tert-Butyl-4-methylphenol

B: 88-18-6
2-tert-Butylphenol

C: 96-76-4
2,4-di-tert-Butylphenol

D: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
C24H20ClNbO4 at 140℃; for 0.25h; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

A: 106-44-5
p-cresol

B: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
aluminum(III) sulfate at 139.9℃; for 8h; Product distribution; Mechanism; other catalysts, var. temp. and time;	A 14.4 % Chromat. B 61.4 % Chromat.

: 119-47-1
2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
at 120℃; other bisphenols; thermo-oxidative stability; var. temperature;

: 106-44-5
p-cresol

: 86119-84-8, 7664-38-2
phosphoric acid

: 75-65-0
tert-butyl alcohol

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
at 60 - 70℃;

...Expand

: 106-44-5
p-cresol

: 7664-93-9
sulfuric acid

: 7732-18-5
water

: 75-65-0
tert-butyl alcohol

: 2409-55-4
2-tert-Butyl-4-methylphenol

Conditions

Conditions	Yield
at 60℃;

...Expand

: 106-44-5
p-cresol

: 7664-93-9
sulfuric acid

: 115-11-7
isobutene

A: 2409-55-4
2-tert-Butyl-4-methylphenol

B: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

Conditions

Conditions	Yield
at 60 - 70℃;

...Expand

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 94669-45-1, 94669-46-2
C25H26ClN2OP

: C36H41N2O2P

Conditions

Conditions	Yield
With triethylamine at -76℃;	100%

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 94669-47-3, 94669-48-4, 76085-17-1
C25H26ClN2OP

: C36H41N2O2P

Conditions

Conditions	Yield
With triethylamine at -76℃;	100%

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 13395-07-8
2-(tert-butyl)-6-chloro-4-methylphenol

Conditions

Conditions	Yield
With N-chloro-succinimide; triphenylphosphine sulfide In dichloromethane at 20℃; for 12h;	100%
With sulfuryl dichloride In chloroform for 24h; Ambient temperature;	71%

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 1516-93-4
2-bromo-6-tert-butyl-4-methylphenol

Conditions

Conditions	Yield
With bromine In dichloromethane at 20℃; for 2h;	100%
With bromine In dichloromethane at 0 - 20℃; for 2h;	100%
With bromine; acetic acid In chloroform Inert atmosphere;	98%

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 187806-29-7
[6-Hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-5-yl]methyl bromide

: 5a-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-α-tocopherol

Conditions

Conditions	Yield
With hydrogen bromide; zinc(II) chloride In hexane; dichloromethane at 50℃; for 4h;	100%

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 24424-99-5
di-tert-butyl dicarbonate

: Carbonic acid tert-butyl ester 2-tert-butyl-4-methyl-phenyl ester

Conditions

Conditions	Yield
With dmap In hexane for 0.333333h;	100%

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 814-49-3
diethyl chlorophosphate

: 952665-30-4
phosphoric acid 2-tert-butyl-4-methylphenyl ester diethyl ester

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 0 - 20℃; for 0.75h;	100%
With ammonium chloride In tetrahydrofuran; mineral oil
Stage #1: 2-tert-Butyl-4-methylphenol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.25h; Stage #2: diethyl chlorophosphate In tetrahydrofuran; mineral oil at 0 - 25℃; for 0.5h;
Stage #1: 2-tert-Butyl-4-methylphenol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.25h; Stage #2: diethyl chlorophosphate In tetrahydrofuran; mineral oil at 0 - 20℃; for 0.5h;

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 107-30-2
chloromethyl methyl ether

: 150094-87-4
1-methoxymethoxy-2-tert-butyl-4-methylbenzene

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 20℃; for 3h;	99%
With sodium hydride

: 546-68-9
titanium(IV) isopropylate

: 2409-55-4
2-tert-Butyl-4-methylphenol

: [(2-tert-butyl-4-methylphenoxy)Ti(isopropoxy)3]

Conditions

Conditions	Yield
In cyclohexane at 20℃; Inert atmosphere; Schlenk technique;	99%

: 546-68-9
titanium(IV) isopropylate

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 259856-05-8
[(2-tert-butyl-4-methylphenoxy)2Ti(isopropoxy)2]

Conditions

Conditions	Yield
In cyclohexane at 20℃; Inert atmosphere; Schlenk technique;	99%

: 110-87-2
3,4-dihydro-2H-pyran

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 2-(2-tert-butyl-4-methylphenoxy)tetrahydro-2H-pyran

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In dichloromethane at 0 - 20℃; Inert atmosphere;	99%
Stage #1: 2-tert-Butyl-4-methylphenol With toluene-4-sulfonic acid In dichloromethane for 0.0166667h; Inert atmosphere; Glovebox; Stage #2: 3,4-dihydro-2H-pyran In dichloromethane Time; Inert atmosphere; Glovebox;	94%

: 109-01-3
1-methyl-piperazine

: 50-00-0
formaldehyd

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 1356094-48-8
(N-piperazinyl-N′-methyl)-2-methylene-4-methyl-6-tert-butylphenol

Conditions

Conditions	Yield
In water for 18h; Reflux; Inert atmosphere;	98%

...Expand

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 106-96-7
propargyl bromide

: 886997-85-9
2-tert-butyl-4-methyl-1-(prop-2-ynyloxy)benzene

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide In toluene at 35 - 40℃; for 4h;	97.2%

: 109-87-5
Dimethoxymethane

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 119-47-1
2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane

Conditions

Conditions	Yield
With acid clay at 170℃; for 2h; Reagent/catalyst; Temperature;	97%
With sulfuric acid at 60 - 70℃; for 2h;	70%
With cation exchanger KU-2; sulfuric acid at 100℃; for 3h; Kinetics; Mechanism; Rate constant; other time, other temperature;

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 108-24-7
acetic anhydride

: 2-t-butyl-4-methylphenyl acetate

Conditions

Conditions	Yield
With zirconium sulfophenyl phosphonate In dichloromethane at 20℃; for 12h; Acetylation;	97%

: 591-50-4
iodobenzene

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 201230-82-2
carbon monoxide

: 60170-87-8
C18H20O2

Conditions

Conditions	Yield
With triethylamine; palladium on activated charcoal In toluene at 130℃; under 15001.5 Torr; for 8h; Sonogashira coupling;	97%

...Expand

: 109-99-9
tetrahydrofuran

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 7550-45-0
titanium tetrachloride

: [2-tert-butyl-4-methylphenolateTi(IV)Cl3(THF)]

Conditions

Conditions	Yield
In toluene at -78 - 65℃; for 8h; Inert atmosphere;	97%

...Expand

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 485-47-2
indan-1,2,3-trione hydrate

: 71313-39-8
2-(3-tert-Butyl-2-hydroxy-5-methyl-phenyl)-2-hydroxy-indan-1,3-dione

Conditions

Conditions	Yield
In acetic acid for 0.5h; Heating;	96%

: 75-91-2
tert.-butylhydroperoxide

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 6390-59-6
3,3′- di-tert-butyl-5,5′-dimethyl-[1,1′-biphenyl]-2,2′-diol

Conditions

Conditions	Yield
With iron(III) chloride In tetrachloromethane at 80℃; for 4h; Alkylation; dimerization;	96%

: 50-00-0
formaldehyd

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 119-47-1
2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane

Conditions

Conditions	Yield
With sodium tetramethoxyborate In dimethyl sulfoxide at 150℃; for 0.5h; Reagent/catalyst; Temperature; Solvent;	95%
In xylene at 175℃; for 10h;	85%
With montmorillonite KSF In octane for 2h; Reflux;	79%

: 50-00-0
formaldehyd

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 41715-31-5
3-tert-butyl-5-methylsalicylaldehyde

Conditions

Conditions	Yield
In acetonitrile at 100 - 110℃; for 2h; Inert atmosphere;	95%
Stage #1: 2-tert-Butyl-4-methylphenol With ethylmagnesium bromide In tetrahydrofuran at 20℃; for 1h; Stage #2: formaldehyd With triethylamine In tetrahydrofuran; toluene at 70℃; for 1h;	72%
With Montmorillonite KSF; triethylamine In toluene at 100℃; for 4h; Formylation;	67%

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 134291-10-4
(2-tert-Butyl-4-methyl-phenoxy)-trimethyl-silane

Conditions

Conditions	Yield
With zirconium sulfophenyl phosphonate In dichloromethane for 0.5h; Ambient temperature;	95%
With [nano-MCM-41(at)(CH2)3-1-methylimidazole]Br3 In dichloromethane at 20℃; for 1.16667h;	93%
With poly(4-vinylpyridinium tribromide) In acetonitrile at 20℃; for 0.0666667h;	99 %Chromat.

: 50-00-0
formaldehyd

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 109-85-3
2-methoxyethylamine

: 1033002-95-7
2-methoxyethylamino-N,N-bis(2-methylene-4-methyl-6-tert-butylphenol)

Conditions

Conditions	Yield
In water for 12h; Mannich reaction; Reflux;	95%
In water for 12h; Reflux;	95%
In water at 100℃; for 18h; Mannich reaction;	88%
In water for 24h; Reflux;	84%
In methanol; water Mannich condensation; Heating;

...Expand

: 3731-51-9
(2-aminomethylpyridine)

: 50-00-0
formaldehyd

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 1033002-91-3
N,N-bis[methyl(2-hydroxy-3-tert-butyl-5-methylphenyl)]-aminomethylpyridine

Conditions

Conditions	Yield
With water for 12h; Heating;	95%
In water for 48h; Reflux;	73%
In water at 100℃; for 18h; Mannich reaction;	55%
In methanol for 24h; Mannich condensation; Heating;	55%
In methanol; water for 24h; Reflux;	28%

...Expand

: 591-50-4
iodobenzene

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 1353547-71-3
2-(tert-butyl)-4-methyl-1-phenoxybenzene

Conditions

Conditions	Yield
With copper(I) oxide; caesium carbonate; imidazole-4-carboxylic acid In acetonitrile at 80℃; for 24h;	94%

: 91-01-0
1,1-Diphenylmethanol

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 2-benzhydryl-6-tert-butyl-4-methylphenol

Conditions

Conditions	Yield
With sulfuric acid; acetic acid	94%

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 100-97-0
hexamethylenetetramine

: 91432-07-4
2-tert-butyl-4-methyl-6-[(6-tert-butyl-8-methyl-2H-1,3-benzoxazin-3(4H)-yl)methyl]phenol

Conditions

Conditions	Yield
at 175℃; melt;	93.8%

: 505-66-8
1,4-Diazacycloheptane

: 50-00-0
formaldehyd

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 503540-53-2
1,4-bis(3-tert-butyl-5-methyl-2-hydroxybenzyl)-1,4-diazacycloheptane

Conditions

Conditions	Yield
In water for 24h; Mannich Aminomethylation; Inert atmosphere; Schlenk technique; Reflux;	93.6%
Stage #1: 1,4-Diazacycloheptane; formaldehyd In methanol for 1h; Heating; Stage #2: 2-tert-Butyl-4-methylphenol In methanol for 24h; Mannich reaction; Heating;	50%
In methanol; water for 24h; Mannich reaction; Reflux; Inert atmosphere;

...Expand

: 95-16-9
1,3-Benzothiazole

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 100-39-0
benzyl bromide

: 2-tert-butyl-6-(3-benzyl-2,3-dihydrobenzo[d]thiazol-2-yl)-4-methylphenol

Conditions

Conditions	Yield
Stage #1: 1,3-Benzothiazole; benzyl bromide In acetonitrile for 2h; Reflux; Stage #2: 2-tert-Butyl-4-methylphenol With triethylamine In acetonitrile for 3h; Reflux;	93%

...Expand

: 2409-55-4
2-tert-Butyl-4-methylphenol

: 67634-11-1
2-(1,1-dimethylethyl)-4-methyl cyclohexanol

Conditions

Conditions	Yield
With potassium hydroxide; Raney Ni-Al; water at 90℃; for 18h;	92%
With nickel at 160 - 190℃; Hydrogenation; optically inactive stereoisomer(ic) of bp : 216 degree;
With sodium 2-tert-butyl-4-methylphenolate; nickel at 220℃; Hydrogenation; optically inactive stereoisomer(ic) of bp : 216 degree;

2-tert-Butyl-4-methylphenol Chemical Properties

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 Uses

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.

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

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.

2-tert-Butyl-4-methylphenol Consensus Reports

Reported in EPA TSCA Inventory.

2-tert-Butyl-4-methylphenol Safety Profile

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: Corrosive C, Dangerous 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 Specification

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.

Product Name

2-tert-Butyl-4-methylphenol

Synthetic route

2-tert-Butyl-4-methylphenol Chemical Properties

2-tert-Butyl-4-methylphenol Uses

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

2-tert-Butyl-4-methylphenol Consensus Reports

2-tert-Butyl-4-methylphenol Safety Profile

2-tert-Butyl-4-methylphenol Specification

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