2-(tert-Butyl)-4,6-dimethylphenol supplier

Name
2-(tert-Butyl)-4,6-dimethylphenol
EINECS 217-533-1
CAS No. 1879-09-0
Article Data43
CAS DataBase
Density 0.952 g/cm³
Solubility Insoluble in water
Melting Point 22 ºC
Formula C₁₂H₁₈O
Boiling Point 249 ºC at 760 mmHg
Molecular Weight 178.274
Flash Point 111.7 ºC
Transport Information
Appearance yellow liquid
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 6-tert-Butyl-2,4-xylenol;Phenol,2-(1,1-dimethylethyl)-4,6-dimethyl-;2,4-Xylenol,6-tert-butyl- (6CI,7CI,8CI);2,4-Dimethyl-6-tert-butylphenol;2-(1,1-Dimethylethyl)-4,6-dimethylphenol;2-Methyl-6-tert-butyl-p-cresol;6-(1,1-Dimethylethyl)-2,4-dimethylphenol;6-tert-Butyl-2,4-dimethylphenol;
PSA 20.23000
LogP 3.30650

Synthetic route

: 105-67-9
2,4-Xylenol

: 115-11-7
isobutene

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

Conditions

Conditions	Yield
Stage #1: 2,4-Xylenol With zinc Heating; Large scale; Stage #2: isobutene at 70℃; Large scale;	96.1%
With acidic ion exchanger
With sulfuric acid at 70℃;
With toluene-4-sulfonic acid In toluene	253 g (86.6%)

: 67-56-1
methanol

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

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

Conditions

Conditions	Yield
With zinc(II) oxide; sodium hydroxide at 250℃; for 8h;	94%

: 67-56-1
methanol

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

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

Conditions

Conditions	Yield
With zinc(II) oxide; sodium hydroxide at 210 - 220℃; for 8h;	84%

: 2-(allyloxy)-1-(tert-butyl)-3,5-dimethylbenzene

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

B: 19182-94-6
2-allyl-4,6-dimethylphenol

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 220℃; for 0.333333h; Claisen Rearrangement; Microwave irradiation; Inert atmosphere;	A 23% B 42%

: 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

: 17696-37-6
2,5-dimethyl-4-(1,1-dimethylethyl)-phenol

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

Conditions

Conditions	Yield
With sodium hydroxide

: 105-67-9
2,4-Xylenol

: 75-65-0
tert-butyl alcohol

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

Conditions

Conditions	Yield
With phosphoric acid at 70 - 105℃;
With phosphoric acid; phosphorus pentoxide

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

: 105-67-9
2,4-Xylenol

: 75-65-0
tert-butyl alcohol

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

Conditions

Conditions	Yield
at 70 - 105℃;

...Expand

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

: 118-82-1
4,4'-Methylenebis(2,6-di-tert-butylphenol)

: 955-01-1
3,5-di-tert-butyl-4-hydroxy benzyl chloride

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

Conditions

Conditions	Yield
palladium on activated charcoal In toluene

...Expand

: 5,11,17,23-tetratert-butyl-4,12,16,24-tetrahydroxycalix[4]arene ethanol complex

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 °C 2: zinc(II) oxide; sodium hydroxide / 8 h / 250 °C View Scheme

: 5,11,17,23-tetratert-butyl-4,12,16,24-tetrahydroxycalix[4]arene

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

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Reflux 2: 100 °C 3: zinc(II) oxide; sodium hydroxide / 8 h / 250 °C View Scheme

: 88-18-6
2-tert-Butylphenol

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Fe2O3-MnO-V2O5 / 290 °C / Gas phase 2: zinc(II) oxide; sodium hydroxide / 8 h / 210 - 220 °C View Scheme
Multi-step reaction with 2 steps 1: Fe2O3-MnO-V2O5 / 325 °C / Gas phase 2: zinc(II) oxide; sodium hydroxide / 8 h / 210 - 220 °C View Scheme
Multi-step reaction with 2 steps 1: zinc(II) oxide; sodium hydroxide / 15 h / 250 °C / Autoclave 2: zinc(II) oxide; sodium hydroxide / 8 h / 210 - 220 °C View Scheme

: 27996-19-6
6-tert-butyl-2-(2'-methoxy-3'-tert-butyl-5'-methylbenzyl)-4-methylphenol

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

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

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

Conditions

Conditions	Yield
With zinc(II) oxide; sodium hydroxide In methanol at 220℃; for 4h;

...Expand

: 27996-19-6
6-tert-butyl-2-(2'-methoxy-3'-tert-butyl-5'-methylbenzyl)-4-methylphenol

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: zinc(II) oxide; sodium hydroxide / methanol / 4 h / 220 °C 2: zinc(II) oxide; sodium hydroxide / 8 h / 210 - 220 °C View Scheme
Multi-step reaction with 2 steps 1: zinc(II) oxide; sodium hydroxide / methanol / 4 h / 220 °C 2: zinc(II) oxide; sodium hydroxide / 8 h / 250 °C View Scheme

: 64325-12-8
2-(N,N-dimethylaminomethyl)-6-tert-butylphenol

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: palladium (4%) on activated charcoal; hydrogen / 11 h / 130 °C / 37503.8 Torr / Autoclave 2: zinc(II) oxide; sodium hydroxide / 8 h / 210 - 220 °C View Scheme

: 64-17-5
ethanol

: 90-05-1
2-methoxy-phenol

A: 1020-31-1
3,5-Di-tert-butylcatechol

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

C: 2934-05-6
2,4-diisopropylphenol

D: 2078-54-8
2,6-diisopropylphenol

E: 2934-07-8
2,4,6-triisopropylphenol

F: 4130-42-1
2,6-di-tert-butyl-4-ethylphenol

G: 2444-28-2
2,6-di-tert-butyl-4-hydroxyphenol

H: 87-97-8
2,6-di-tert-butyl-4-methoxymethylene-phenol

I: 1138-52-9
3,5-Di-tert-butylphenol

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

K: 52417-48-8
2-(2',5'-dimethoxyphenyl)propionaldehyde

L: 17540-75-9
2,6-di-tert-butyl-4-sec-butylphenol

M: 2050-46-6
1,2-diethoxybenzene

N: 21112-37-8
1,4-dimethoxy-2-tert-butylbenzene

O: 5076-72-2
1-ethoxy-4-methoxybenzene

P: 79-74-3
2,5-di(tert-amyl)-1,4-hydroquinone

Q: 120-95-6
2,4-di-tert-amylphenol

R: 876-20-0
2,5-diethyl phenol

S: 33963-27-8
4-ethoxy-3-methoxytoluene

T: 59056-76-7
1,2-dimethoxy-4-butylbenzene

U: 131358-04-8
1,2-diethoxy-4-ethyl-benzene

V: 1620-98-0
3,5-di-t-butyl-4-hydroxybenzaldehyde

Conditions

Conditions	Yield
With ortho-tungstic acid at 300℃; for 6h; Autoclave;

...Expand

: 64-17-5
ethanol

: 90-05-1
2-methoxy-phenol

A: 94-71-3
2-Ethoxyphenol

B: 1020-31-1
3,5-Di-tert-butylcatechol

C: 2934-05-6
2,4-diisopropylphenol

D: 2078-54-8
2,6-diisopropylphenol

E: 2934-07-8
2,4,6-triisopropylphenol

F: 4130-42-1
2,6-di-tert-butyl-4-ethylphenol

G: 2444-28-2
2,6-di-tert-butyl-4-hydroxyphenol

H: 87-97-8
2,6-di-tert-butyl-4-methoxymethylene-phenol

I: 1138-52-9
3,5-Di-tert-butylphenol

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

K: 52417-48-8
2-(2',5'-dimethoxyphenyl)propionaldehyde

L: 17540-75-9
2,6-di-tert-butyl-4-sec-butylphenol

M: 2050-46-6
1,2-diethoxybenzene

N: 21112-37-8
1,4-dimethoxy-2-tert-butylbenzene

O: 5076-72-2
1-ethoxy-4-methoxybenzene

P: 79-74-3
2,5-di(tert-amyl)-1,4-hydroquinone

Q: 120-95-6
2,4-di-tert-amylphenol

R: 876-20-0
2,5-diethyl phenol

S: 33963-27-8
4-ethoxy-3-methoxytoluene

T: 59056-76-7
1,2-dimethoxy-4-butylbenzene

U: 131358-04-8
1,2-diethoxy-4-ethyl-benzene

V: 1620-98-0
3,5-di-t-butyl-4-hydroxybenzaldehyde

Conditions

Conditions	Yield
With tungsten(VI) oxide at 300℃; for 6h; Reagent/catalyst; Autoclave;

...Expand

: 64-17-5
ethanol

: 120-80-9
benzene-1,2-diol

A: 1020-31-1
3,5-Di-tert-butylcatechol

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

C: 2934-05-6
2,4-diisopropylphenol

D: 2078-54-8
2,6-diisopropylphenol

E: 2934-07-8
2,4,6-triisopropylphenol

F: 4130-42-1
2,6-di-tert-butyl-4-ethylphenol

G: 2444-28-2
2,6-di-tert-butyl-4-hydroxyphenol

H: 87-97-8
2,6-di-tert-butyl-4-methoxymethylene-phenol

I: 1138-52-9
3,5-Di-tert-butylphenol

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

K: 52417-48-8
2-(2',5'-dimethoxyphenyl)propionaldehyde

L: 17540-75-9
2,6-di-tert-butyl-4-sec-butylphenol

M: 2050-46-6
1,2-diethoxybenzene

N: 21112-37-8
1,4-dimethoxy-2-tert-butylbenzene

O: 5076-72-2
1-ethoxy-4-methoxybenzene

P: 79-74-3
2,5-di(tert-amyl)-1,4-hydroquinone

Q: 120-95-6
2,4-di-tert-amylphenol

R: 876-20-0
2,5-diethyl phenol

S: 33963-27-8
4-ethoxy-3-methoxytoluene

T: 59056-76-7
1,2-dimethoxy-4-butylbenzene

U: 131358-04-8
1,2-diethoxy-4-ethyl-benzene

V: 1620-98-0
3,5-di-t-butyl-4-hydroxybenzaldehyde

Conditions

Conditions	Yield
With ortho-tungstic acid at 300℃; for 6h; Autoclave;

...Expand

: 94-71-3
2-Ethoxyphenol

: 64-17-5
ethanol

A: 1020-31-1
3,5-Di-tert-butylcatechol

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

C: 2934-05-6
2,4-diisopropylphenol

D: 2078-54-8
2,6-diisopropylphenol

E: 2934-07-8
2,4,6-triisopropylphenol

F: 4130-42-1
2,6-di-tert-butyl-4-ethylphenol

G: 2444-28-2
2,6-di-tert-butyl-4-hydroxyphenol

H: 87-97-8
2,6-di-tert-butyl-4-methoxymethylene-phenol

I: 1138-52-9
3,5-Di-tert-butylphenol

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

K: 52417-48-8
2-(2',5'-dimethoxyphenyl)propionaldehyde

L: 17540-75-9
2,6-di-tert-butyl-4-sec-butylphenol

M: 2050-46-6
1,2-diethoxybenzene

N: 21112-37-8
1,4-dimethoxy-2-tert-butylbenzene

O: 5076-72-2
1-ethoxy-4-methoxybenzene

P: 79-74-3
2,5-di(tert-amyl)-1,4-hydroquinone

Q: 120-95-6
2,4-di-tert-amylphenol

R: 876-20-0
2,5-diethyl phenol

S: 33963-27-8
4-ethoxy-3-methoxytoluene

T: 59056-76-7
1,2-dimethoxy-4-butylbenzene

U: 131358-04-8
1,2-diethoxy-4-ethyl-benzene

V: 1620-98-0
3,5-di-t-butyl-4-hydroxybenzaldehyde

Conditions

Conditions	Yield
With ortho-tungstic acid at 300℃; for 6h; Autoclave;

...Expand

: 105-67-9
2,4-Xylenol

: 115-11-7
isobutene

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

B: 2,4-dimethyl-5-tert-butylphenol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In water at 65℃; under 759.826 Torr; for 0.5h; Activation energy; Pressure; Concentration;

...Expand

: 50-00-0
formaldehyd

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

: 23500-79-0
2,6-di-methyl-4-tert-butyl-3-hydroxybenzyl chloride

Conditions

Conditions	Yield
With hydrogenchloride; tetrabutylammomium bromide at 20℃; Reagent/catalyst;	97.2%
Stage #1: formaldehyd; 2,4-dimethyl-6-tert-butylphenol With hydrogenchloride In water at 37℃; for 2h; Stage #2: With phosphorus trichloride at 40℃; for 5h;

: 887144-94-7
Togni's reagent II

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

: 2-(tert-butyl)-6-methyl-4-(2,2,2-trifluoroethyl)phenol

Conditions

Conditions	Yield
With copper(l) iodide In N,N-dimethyl-formamide at 40℃; for 1h; Reagent/catalyst; Solvent; Schlenk technique;	93%

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

: 10537-77-6
3-tert-butyl-4-hydroxy-5-methylbenzaldehyde

Conditions

Conditions	Yield
With copper diacetate; ethylene glycol at 65℃; for 12h; Green chemistry; regioselective reaction;	84%
With oxygen; cobalt(II) acetate; sodium hydroxide In water; ethylene glycol at 50℃; under 760.051 Torr; for 12h; Green chemistry; chemoselective reaction;	83%

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

: 873-55-2
sodium benzenesulfonate

: 2-(tert-butyl)-6-methyl-4-((phenylsulfonyl)methyl)phenol

Conditions

Conditions	Yield
With iodine; copper diacetate In acetonitrile at 20℃; for 12h; regioselective reaction;	83%

: 873-73-4
4-n-chlorophenylacetylene

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

: C20H22ClN3O

Conditions

Conditions	Yield
With potassium fluoride; sodium azide; silver carbonate In N,N-dimethyl-formamide at 50℃; for 6h;	79%

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

: 536-74-3
phenylacetylene

: C20H23N3O

Conditions

Conditions	Yield
With potassium fluoride; sodium azide; silver carbonate In N,N-dimethyl-formamide at 50℃; for 6h;	76%

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

: 766-97-2
4-n-methylphenylacetylene

: C21H25N3O

Conditions

Conditions	Yield
With potassium fluoride; sodium azide; silver carbonate In N,N-dimethyl-formamide at 50℃; for 6h;	73%

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

: C12H18O2

Conditions

Conditions	Yield
With cesium hydroxide; oxygen; triethyl phosphite In dimethyl sulfoxide at 25℃; under 760.051 Torr; for 12h;	71%

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

: p-tolyldiazonium tetrafluoroborate

: 2-(tert-butyl)-6-methyl-4-(tosylmethyl)phenol

Conditions

Conditions	Yield
With sodium metabisulfite; tris[2-phenylpyridinato-C2,N]iridium(III); sodium hydrogencarbonate In 1,2-dichloro-ethane at 20℃; Inert atmosphere; Irradiation;	70%

: 109-87-5
Dimethoxymethane

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

: 93982-04-8
3-(bromomethyl)-6-tert-butyl-2,4-dimethylphenol

Conditions

Conditions	Yield
With hydrogen bromide	68%

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

: 79-03-8
propionyl chloride

: 2-tert-butyl-4,6-dimethylphenyl propionate

Conditions

Conditions	Yield
Stage #1: 2,4-dimethyl-6-tert-butylphenol With n-butyllithium In tetrahydrofuran at 0℃; for 0.5h; Inert atmosphere; Stage #2: propionyl chloride In tetrahydrofuran at 20℃; for 3h; Inert atmosphere;	67%

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

: 107-05-1
3-chloroprop-1-ene

: 2-(allyloxy)-1-(tert-butyl)-3,5-dimethylbenzene

Conditions

Conditions	Yield
Stage #1: 2,4-dimethyl-6-tert-butylphenol With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.333333h; Inert atmosphere; Stage #2: 3-chloroprop-1-ene In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;	67%

: 887144-94-7
Togni's reagent II

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

A: 2-(tert-butyl)-6-methyl-4-(2,2,2-trifluoroethyl)phenol

B: 6-(tert-butyl)-2,4-dimethyl-3-(trifluoromethyl)phenol

Conditions

Conditions	Yield
With tetrakis(actonitrile)copper(I) hexafluorophosphate In tert-butyl alcohol at 40℃; Reagent/catalyst; Solvent;	A 6% B 54%

...Expand

: 887144-94-7
Togni's reagent II

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

: 6-(tert-butyl)-2,4-dimethyl-3-(trifluoromethyl)phenol

Conditions

Conditions	Yield
With tetrakis(actonitrile)copper(I) hexafluorophosphate In tert-butyl alcohol at 40℃; Schlenk technique;	54%

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

: phenyldiazonium tetrafluoroborate

: 2-(tert-butyl)-6-methyl-4-((phenylsulfonyl)methyl)phenol

Conditions

Conditions	Yield
With sodium metabisulfite; tris[2-phenylpyridinato-C2,N]iridium(III); sodium hydrogencarbonate In 1,2-dichloro-ethane at 20℃; Inert atmosphere; Irradiation;	53%

: 64-17-5
ethanol

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

A: 10537-77-6
3-tert-butyl-4-hydroxy-5-methylbenzaldehyde

B: 134778-32-8
2-t-butyl-4-(ethoxymethyl)-2-methylphenol

Conditions

Conditions	Yield
With oxygen; copper dichloride; acetone oxime at 40℃; under 860.3 Torr; for 1.41667h;	A 5% B 49%
With oxygen; acetone oxime at 40℃; under 860.3 Torr; for 1.41667h; Yield given. Yields of byproduct given;

...Expand

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

A: 10537-77-6
3-tert-butyl-4-hydroxy-5-methylbenzaldehyde

B: 134778-32-8
2-t-butyl-4-(ethoxymethyl)-2-methylphenol

Conditions

Conditions	Yield
With oxygen; copper dichloride; acetone oxime In ethanol at 40℃; under 860.3 Torr; for 1.41667h;	A 5% B 49%
With oxygen; acetone oxime In ethanol at 40℃; under 860.3 Torr; for 1.41667h; Yield given. Yields of byproduct given;

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

: 2,4,4,4-tetrafluoro-3,3-dihydroxy-1-phenylbutan-1-one

: (S)-3-(3-(tert-butyl)-4-hydroxy-5-methylphenyl)-2-fluoro-1-phenylpropan-1-one

Conditions

Conditions	Yield
Stage #1: 2,4-dimethyl-6-tert-butylphenol; 2,4,4,4-tetrafluoro-3,3-dihydroxy-1-phenylbutan-1-one With potassium dihydrogenphosphate; tetrabutylammonium perchlorate; C34H37N3O4 In 1,2-dichloro-ethane at 70℃; Inert atmosphere; Electrochemical reaction; Stage #2: With potassium hydrogencarbonate In 1,2-dichloro-ethane at 70℃; for 3h; Inert atmosphere; enantioselective reaction;	49%

: 50-00-0
formaldehyd

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

: 93982-04-8
3-(bromomethyl)-6-tert-butyl-2,4-dimethylphenol

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid at 45℃; Inert atmosphere;	41%

: 887144-94-7
Togni's reagent II

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

A: 1335135-19-7
2,2,6,6-tetramethyl-1-(trifluoromethoxy)piperidine

B: 3,3'-di-tert-butyl-5,5'-dimethyl-bibenzyl-4,4'-diol

Conditions

Conditions	Yield
With copper(l) iodide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In N,N-dimethyl-formamide at 40℃; for 1h; Schlenk technique;	A 58 %Spectr. B 38%

...Expand

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

: 100-39-0
benzyl bromide

: 125211-83-8
6-benzyl-2-(tert-butyl)-4,6-dimethylcyclohexa-2,4-dien-1-one

Conditions

Conditions	Yield
Stage #1: 2,4-dimethyl-6-tert-butylphenol With n-butyllithium In hexane; toluene for 0.25h; Inert atmosphere; Stage #2: benzyl bromide In toluene at 80℃; Reagent/catalyst; Temperature; Inert atmosphere;	35%

: 75-91-2
tert.-butylhydroperoxide

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

A: 25543-57-1
2-tert-butyl-6-methyl-1,4-benzoquinone

B: 136613-00-8
2-t-butyl-4-t-butylperoxy-4,6-dimethyl-2,5-cyclohexadien-1-one

Conditions

Conditions	Yield
phosphomolybdic acid hydrate In acetic acid at 30℃; for 3h;	A 11.5% B 33.5%

...Expand

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

A: 25543-57-1
2-tert-butyl-6-methyl-1,4-benzoquinone

B: 136613-00-8
2-t-butyl-4-t-butylperoxy-4,6-dimethyl-2,5-cyclohexadien-1-one

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; phosphomolybdic acid hydrate In acetic acid at 30℃; for 3h;	A 11.5% B 33.5%

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

: 75-05-8
acetonitrile

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

B: 139656-52-3
4-tert-butyl-2,5,7-trimethylbenzoxazole

C: 105-67-9
2,4-Xylenol

D: 115-11-7
isobutene

Conditions

Conditions	Yield
With thianthrene cation radical perchlorate for 3h; Further byproducts given;	A 6.5% B 14% C 5.8% D 25%

...Expand

: 75-91-2
tert.-butylhydroperoxide

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

A: 136613-00-8
2-t-butyl-4-t-butylperoxy-4,6-dimethyl-2,5-cyclohexadien-1-one

B: 147120-00-1
2,2'-di-tert-butyl-6,6'-dimethyl-4,4'-ethanediylidene-bis-cyclohexa-2,5-dienone

Conditions

Conditions	Yield
With cobalt naphthenate; benzene

...Expand

2-(tert-Butyl)-4,6-dimethylphenol Chemical Properties

IUPAC Name: 2-tert-Butyl-4,6-dimethylphenol
Molecular Formula: C₁₂H₁₈O
Molecular Weight: 178.27 g/mol
Canonical SMILES: c1(c(c(cc(c1)C)C)O)C(C)(C)C
InChI: InChI=1/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3
EINECS: 217-533-1
Product Categories: Industrial / Fine Chemicals
Index of Refraction: 1.512
Molar Refractivity: 56.17 cm³
Molar Volume: 187.1 cm³
Polarizability: 22.26×10^-24cm³
Surface Tension: 32.1 dyne/cm
Density: 0.952 g/cm³
Flash Point: 111.7 °C
Enthalpy of Vaporization: 50.59 kJ/mol
Boiling Point: 249 °C at 760 mmHg
Melting Point: 22 °C
Solubility: Insoluble in water.
Vapour Pressure of Topanol A (CAS NO.1879-09-0): 0.0149 mmHg at 25 °C

2-(tert-Butyl)-4,6-dimethylphenol Uses

Topanol A (CAS NO.1879-09-0) is an alkylated phenol used industrially as an antioxidant, eg. to prevent gumming in fuels, and as an ultraviolet stabilizer. It is used in jet fuels, gasolines, and avgas. It is also used in printing industry.

2-(tert-Butyl)-4,6-dimethylphenol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LDLo	oral	420mg/kg (420mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
guinea pig	LDLo	skin	7100mg/kg (7100mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
mouse	LD50	oral	530mg/kg (530mg/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	55mg/kg (55mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
rabbit	LDLo	skin	17mg/kg (17mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA	National Technical Information Service. Vol. OTS0555501,
rat	LDLo	oral	1400mg/kg (1400mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.

2-(tert-Butyl)-4,6-dimethylphenol Consensus Reports

Reported in EPA TSCA Inventory.

2-(tert-Butyl)-4,6-dimethylphenol Safety Profile

Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits smoke and acrid, irritating fumes.
Hazard Codes: Harmful Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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.
RIDADR: 2927
RTECS: ZE6825000
Hazard Note: Harmful
HazardClass: 6.1(a)
PackingGroup of Topanol A (CAS NO.1879-09-0): I

2-(tert-Butyl)-4,6-dimethylphenol Specification

Topanol A (CAS NO.1879-09-0), its Synonyms are 2,4-Dimethyl-6-tert-butylphenol ; 2-tert-Butyl-4,6-dimethylphenol ; 6-t-Butyl-2,4-dimethylphenol ; 6-t-Butyl-2,4-xylenol ; 6-tert-Butyl-2,4-dimethylphenol ; 6-tert-Butyl-2,4-xylenol ; Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl- ; 2,4-Xylenol, 6-tert-butyl- . It is a yellow liquid with a phenolic odor.

Product Name

2-(tert-Butyl)-4,6-dimethylphenol

Synthetic route

2-(tert-Butyl)-4,6-dimethylphenol Chemical Properties

2-(tert-Butyl)-4,6-dimethylphenol Uses

2-(tert-Butyl)-4,6-dimethylphenol Toxicity Data With Reference

2-(tert-Butyl)-4,6-dimethylphenol Consensus Reports

2-(tert-Butyl)-4,6-dimethylphenol Safety Profile

2-(tert-Butyl)-4,6-dimethylphenol Specification

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