4-tert-Butylphenol supplier

Name
4-tert-Butylphenol
EINECS 202-679-0
CAS No. 98-54-4
Article Data417
CAS DataBase
Density 0.971 g/cm³
Solubility 8.7 g/L (20 °C) in water
Melting Point 96-101 °C(lit.)
Formula C₁₀H₁₄O
Boiling Point 233.7 °C at 760 mmHg
Molecular Weight 150.221
Flash Point 110.9 °C
Transport Information UN 3077 9/PG 3
Appearance white crystalline powder and has a disinfectant-like odor
Safety 26-39-61
Risk Codes 37/38-41-51/53
Molecular Structure
Hazard Symbols Xi,N
Synonyms p-terc.Butylfenol [Czech];Butylphen;4-(1,1-Dimethylethyl)phenol;Para Tert Butyl Phenol [98-54-4];p-tert-butylphenol;paratertbutyl phenol;Phenol, 4- (1, 1-dimethylethyl)-;PTBP;Phenol, p-tert-butyl-;1-Hydroxy-4-tert-butylbenzene;EPA Pesticide Chemical Code 064113;p-terc.Butylfenol;Phenol, 4-(1,1-dimethylethyl)-;Phenol, p-(tert-butyl)-;4-(1, 1-Dimethylethyl)phenol;Ucar butylphenol 4-T flake;p-t-Butyl phenol;Ucar butylphenol 4-T;
PSA 20.23000
LogP 2.68970

Synthetic route

: 507-20-0
tertiary butyl chloride

: 108-95-2
phenol

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With ethylaluminum dichloride bis(2-chloroethyl) ether complex In hexane; Cyclohexane-d12 at 25℃; for 2.5h; Catalytic behavior; Friedel-Crafts Alkylation; Glovebox; Inert atmosphere; regioselective reaction;	100%
bei Siedetemperatur;
at 75℃; unter Druck;

: 123324-71-0
4-tert-butylphenylboronic acid

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With water; 3-chloro-benzenecarboperoxoic acid In ethanol at 20℃; for 6h;	100%
With dihydrogen peroxide In water at 20℃; for 0.166667h;	98%
With 3,4,5-trihydroxybenzoic acid; sodium hydrogencarbonate In ethanol; water at 20℃; for 24h; Reagent/catalyst; Solvent; Green chemistry;	98%

: 17899-16-0
{[4-(1,1-dimethylethyl)phenyl]oxy}(triethyl)silane

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With lithium acetate In water; N,N-dimethyl-formamide at 25℃; for 4h; Inert atmosphere;	99%
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In 1,4-dioxane Ambient temperature;	91%
With bismuth oxide perchlorate In dichloromethane at 45℃; for 1h;	77%

: 226569-78-4
1-tert-butyldimethylsilyloxy-4-tert-butylbenzene

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In 1,4-dioxane Ambient temperature;	99%
With lithium acetate In water; N,N-dimethyl-formamide at 70℃; for 6h; Inert atmosphere;	98%
With potassium hydroxide In ethanol at 20℃; for 1h;	97%

: tert-butyl-(4-tert-butyl-phenoxy)-diphenyl-silane

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In 1,4-dioxane Ambient temperature;	99%
With lithium acetate In water; N,N-dimethyl-formamide at 70℃; for 15h; Inert atmosphere;	97%
With bismuth oxide perchlorate In dichloromethane at 45℃; for 1h;

: 5396-38-3
1-(tert-butyl)-4-methoxybenzene

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With trimethylsilyl iodide at 105 - 114℃; for 0.25h; Microwave irradiation; Inert atmosphere;	99%

: potassium (4-tert-butyl)phenyltrifluoroborate

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With Oxone; water In acetone at 20℃; for 0.0333333h;	99%

: 2039-82-9
1-bromo-4-ethenyl-benzene

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

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

B: 1585-07-5
1-bromo-4-ethylbenzene

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;	A 99% B 89%

...Expand

: 637-69-4
4-Methoxystyrene

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

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

B: 1515-95-3
p-ethylanisole

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 2.5h; Schlenk technique;	A 99% B 94%

...Expand

: 55339-51-0
2-allyloxy-1-nitrobenzene

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

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

B: 3079-53-6
1-nitro-2-propoxybenzene

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;	A 99% B 99%

...Expand

: 51515-28-7
N-(4-(allyloxy)phenyl)benzamide

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

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

B: N-(4-propoxyphenyl)benzamide

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;	A 99% B 96%

...Expand

: 1034000-81-1
3-allyloxy-17β-hydroxy-1,3,5(10)-estratriene

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

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

B: 13-methyl-3-propoxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;	A 99% B 99%

...Expand

: 6628-07-5
N-allyl-N-methylaniline

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

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

B: 13395-54-5
N-methyl-N-n-propylaniline

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;	A 99% B 93%

...Expand

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

: 515163-30-1
allyl 4-N-(benzyloxycarbonyl)aminophenyl ether

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

B: benzyl (4-propoxyphenyl)carbamate

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;	A 99% B 97%

...Expand

: 24806-16-4
allyl p-cymyl ether

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 1h;	98%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In methanol at 20℃; for 12h;	85%
With 12-TPA/SBA 15 In 1,4-dioxane at 110℃; Catalytic behavior; Reagent/catalyst; Solvent; Temperature;	79%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With potassium hydroxide; tris-(dibenzylideneacetone)dipalladium(0); tert-butyl XPhos In 1,4-dioxane; water at 100℃; for 8h;	98%
With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; boric acid; palladium diacetate; caesium carbonate In 1-methyl-pyrrolidin-2-one at 80℃; for 24h; Schlenk technique; Inert atmosphere;	95%
Stage #1: 1-bromo-4-tert-butylbenzene With copper(l) iodide; 8-Hydroxyquinoline-N-oxide In dimethyl sulfoxide at 20℃; for 0.166667h; Inert atmosphere; Stage #2: With cesiumhydroxide monohydrate In water; dimethyl sulfoxide at 110℃; for 18h; Inert atmosphere;	92%

: 1568-66-7
1-allyloxy-4-nitrobenzene

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

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

B: 7244-77-1
1-nitro-4-propoxybenzene

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 2.5h; Concentration; Schlenk technique;	A 98% B 98%

...Expand

: 1568-66-7
1-allyloxy-4-nitrobenzene

: 123324-71-0
4-tert-butylphenylboronic acid

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

B: 7244-77-1
1-nitro-4-propoxybenzene

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 16h; Schlenk technique;	A 98% B 81%

...Expand

: 52458-10-3
1-tert-Butyl-4-(phenylmethoxy)benzene

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With scandium(III) tris(trifluoromethylsulfonyl)methide; methoxybenzene at 100℃; for 0.5h; debenzylation;	97%

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

: 1688-69-3
p-allyloxyaniline

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

B: 4469-80-1
4-propoxyaniline

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;	A 97% B 92%

...Expand

: 586-39-0
1-nitro-3-vinyl-benzene

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

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

B: 7369-50-8
3-ethylnitrobenzene

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 1.5h; Schlenk technique;	A 97% B 92%

...Expand

: 5296-64-0
allyl phenyl thioether

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

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

B: 874-79-3
phenyl(propyl)sulfide

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;	A 97% B 94%

...Expand

: 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole

: 27096-64-6
2-(allyloxy)aniline

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

B: 4469-78-7
2-propoxyaniline

Conditions

Conditions	Yield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;	A 97% B 95%

...Expand

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With zeolite Beta at 70℃; for 6h; Reagent/catalyst; Temperature; Time;	96.21%
With o-tetrachloroquinone; C16H21IMoO3 In 1,2-dichloro-ethane at 80℃; for 12h; Friedel-Crafts Alkylation; Inert atmosphere; Schlenk technique; Green chemistry; regioselective reaction;	6.1%
With sulfuric acid at 5 - 15℃;

: 226569-78-4
1-tert-butyldimethylsilyloxy-4-tert-butylbenzene

Cs2CO3: Cs2CO3

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide at 20℃; for 2.5h;	96%

: 35779-04-5
1-tert-butyl-4-iodobenzene

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With copper(l) iodide; cesium hydroxide; butane-2,3-dione dioxime In water; dimethyl sulfoxide at 120℃; for 10h;	96%
With basolite C300; potassium hydroxide In water; dimethyl sulfoxide at 125℃; for 12h;	93%
With cesium hydroxide In water; dimethyl sulfoxide at 120℃; for 24h; Sealed tube; Inert atmosphere;	67%
Multi-step reaction with 2 steps 1.1: caesium carbonate; copper(l) iodide; ethyl 2-oxocyclohexane carboxylate / 24 h / 78 °C / Inert atmosphere 2.1: lithium diisopropyl amide / tetrahydrofuran / 2 h / -78 °C / Inert atmosphere 2.2: 2 h / -78 °C / Inert atmosphere 2.3: Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1: caesium carbonate; copper(l) iodide; ethyl 2-oxocyclohexane carboxylate / 24 h / 78 °C / Inert atmosphere 2: lithium diisopropyl amide / tetrahydrofuran / 1.25 h / -78 °C / Inert atmosphere 3: potassium hexacyanoferrate(III); potassium carbonate; potassium osmate(VI) dihydrate; pyridine; water / tert-butyl alcohol / 16 h / 20 °C / Inert atmosphere View Scheme

: (4-tert-butyl-phenoxy)-triisopropyl-silane

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With potassium acetate In water; N,N-dimethyl-formamide at 70℃; for 32h;	95%
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In 1,4-dioxane Ambient temperature;	88%

: 351187-72-9
2-iodo-4-[(1,1-dimethyl)ethyl]-2-cyclohexen-1-one

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
With sodium benzoate; 4 A molecular sieve; tetra(n-butyl)ammonium hydrogensulfate In acetone for 4h; Heating;	95%

: 123324-71-0
4-tert-butylphenylboronic acid

: acetonitrile complex of hypofluorous acid

: 98-54-4
para-tert-butylphenol

Conditions

Conditions	Yield
In dichloromethane at 20℃;	95%

: 98-54-4
para-tert-butylphenol

: 2198-66-5
2-bromo-4-tert-butylphenol

Conditions

Conditions	Yield
With bromine	100%
With bromine In dichloromethane at 20 - 40℃; for 20h;	100%
With bromine In tetrachloromethane; chloroform at 0℃; Inert atmosphere;	100%

: 98-54-4
para-tert-butylphenol

: 124-63-0
methanesulfonyl chloride

: 59970-38-6
4-tert-butylphenyl mesylate

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 0 - 20℃; for 0.166667h; Green chemistry;	100%
With triethylamine In dichloromethane at 0℃; for 0.5h;	95%
With triethylamine In dichloromethane at 0 - 20℃;	86%

: 98-54-4
para-tert-butylphenol

: 100-39-0
benzyl bromide

: 52458-10-3
1-tert-Butyl-4-(phenylmethoxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 12h; Reflux; Sealed tube;	100%
With potassium carbonate In acetonitrile Reflux;	98%
With tetrabutylammomium bromide In dichloromethane; water at 70℃; for 0.166667h; Flow reactor;	92%

: 3469-06-5
benzocyclobutenone

: 98-54-4
para-tert-butylphenol

: 2-Methyl-benzoic acid 4-tert-butyl-phenyl ester

Conditions

Conditions	Yield
at 200℃; for 2h;	100%

: 98-54-4
para-tert-butylphenol

: 17763-80-3
para-nitrophenyl triflate

: 154318-75-9
4-tert-butylphenyl triflate

Conditions

Conditions	Yield
With 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene on polystyrene.HL In acetonitrile at 80℃; Esterification;	100%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 4h; Substitution;	83%

: 98-54-4
para-tert-butylphenol

: 535-11-5, 41978-69-2
Ethyl 2-bromopropionate

: 94022-67-0, 958238-91-0
2-(4-tert-Butyl-phenoxy)-propionic Acid Ethyl Ester

Conditions

Conditions	Yield
With NaH In N,N-dimethyl-formamide; mineral oil	100%
With NaH In N,N-dimethyl-formamide; mineral oil	100%
With caesium carbonate In N,N-dimethyl-formamide at 90℃;	90%

(S-monofluoromethyl(diphenyl)sulfonium tetrafluoroborate)-poly(styrene-co-divinylbenzene): (S-monofluoromethyl(diphenyl)sulfonium tetrafluoroborate)-poly(styrene-co-divinylbenzene)

: 98-54-4
para-tert-butylphenol

: 1-monofluoromethoxy-4-(tert-butyl)benzene

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 20℃; for 48h;	100%

: 546-68-9
titanium(IV) isopropylate

: (C9H6NC6H3OHCHN)2(CH2)4CHCH

: 98-54-4
para-tert-butylphenol

: (-)-(R,R)-Ti(quinoline-salen)(p-tBuC6H4O)2

Conditions

Conditions	Yield
In dichloromethane soln. of Ti-complex in CH2Cl2 was added to soln. of 4-t-butylphenol in CH2Cl2, ligand in CH2Cl2 was added, stirred for 10 min at room temp. under N2; concd. in vacuo, dried in vacuo with gentle heating for 3 h;	100%

...Expand

: 98-54-4
para-tert-butylphenol

: 7550-45-0
titanium tetrachloride

: 1156464-85-5
di[dichlorobis(4-tert-butylphenolate)titanium(IV)]

Conditions

Conditions	Yield
In toluene byproducts: HCl; N2, vigorously refluxed for 9 h; cooled, filtered, solvent removed, dried (vac., several h); elem. anal.;	100%

: 98-54-4
para-tert-butylphenol

: 60805-11-0
1,1,3,3-tetrakis(perfluoromethylsulfonyl)propane

: 2-(2,2-bis(trifluoromethylsulfonyl)ethyl)-4-t-butylphenol

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 1h;	100%

: 98-54-4
para-tert-butylphenol

: 1609-86-5
Tert-butyl isocyanate

: N-tert-butyl-O-( p-tert-butylphenyl)carbamate

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; for 0.5h;	100%

: 98-54-4
para-tert-butylphenol

: C10H12(2)H2O

Conditions

Conditions	Yield
With perchloric acid; d(4)-methanol at 75℃; for 144h; Inert atmosphere;	100%
With lithium phosphate; water-d2; copper diacetate; p-Toluic acid In 1,4-dioxane at 140℃; for 24h;

: 98-54-4
para-tert-butylphenol

: 3433-80-5
1-Bromo-2-bromomethyl-benzene

: 2-bromobenzyl 4-tert-butylphenyl ether

Conditions

Conditions	Yield
With potassium carbonate In acetone for 6h; Inert atmosphere; Schlenk technique; Reflux;	100%

: 98-54-4
para-tert-butylphenol

: 98-52-2
4-(1,1-dimethylethyl)-cyclohexanol

Conditions

Conditions	Yield
With hydrogen In tetrahydrofuran at 180℃; under 195020 Torr;	99.9%
With hydrogen In tetrahydrofuran at 200℃;	99.8%
With nickel(II) oxide; hydrogen; palladium In hexane at 100℃; under 22502.3 Torr; for 8h;	98%

: 98-54-4
para-tert-butylphenol

: 612-13-5
2-cyanobenzyl chloride

: 2-(4-tert-butylphenoxymethyl)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 6h;	99.8%

: 98-54-4
para-tert-butylphenol

: 98-22-6
2,6-dibromo-4-tert-butylphenol

Conditions

Conditions	Yield
With benzyltrimethylammonium tribromide In methanol; dichloromethane	99%
With hydrogen bromide; dihydrogen peroxide In water at 20℃; for 32h; Darkness;	98%
In water; bromine	97%

: 98-54-4
para-tert-butylphenol

: 108-24-7
acetic anhydride

: 3056-64-2
4-(tert-butyl)phenyl acetate

Conditions

Conditions	Yield
With Zn(N4,N4'-di(pyridin-4-yl)biphenyl-4,4'-dicarboxamide)(5-aminoisophthalate) In dichloromethane at 20℃; for 14h;	99%
With zirconium phosphate In neat (no solvent) at 60℃; for 0.75h; Green chemistry;	96%
With nickel zirconium phosphate In neat (no solvent) at 40℃; for 0.166667h;	95%

: 98-54-4
para-tert-butylphenol

: 98-59-9
p-toluenesulfonyl chloride

: 7598-28-9
4-tert-butylphenyltosylate

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water at 0 - 20℃; for 2h; Reagent/catalyst; Green chemistry;	99%
With triethylamine In dichloromethane at 0 - 20℃; for 16h;	92%
Stage #1: para-tert-butylphenol; p-toluenesulfonyl chloride With triethylamine In dichloromethane at 20℃; Stage #2: In water for 3h;	85%

: 108-86-1
bromobenzene

: 98-54-4
para-tert-butylphenol

: 5331-28-2
1-tert-butyl-4-phenoxybenzene

Conditions

Conditions	Yield
With copper(l) iodide; caesium carbonate In 4-methyl-2-pentanone at 110℃; for 24h; Ullmann type condensation; Inert atmosphere;	99%
With copper(l) iodide; iron(III)-acetylacetonate; potassium carbonate In N,N-dimethyl-formamide at 135℃; for 12h; Inert atmosphere;	92%
With potassium tert-butylate In dimethyl sulfoxide at 40 - 45℃;	82%

: 98-54-4
para-tert-butylphenol

: 62921-74-8
2-(2-(2-methoxyethoxy)ethoxy)ethyl p-toluenesulfonate

: 1-(p-tert-Butylphenyl)-1,4,7,10-tetraoxaundecane

Conditions

Conditions	Yield
With potassium hydroxide; benzyltrimethylammonium chloride In dichloromethane at 40℃; for 24h;	99%
Stage #1: para-tert-butylphenol With sodium hydride In N,N-dimethyl-formamide Inert atmosphere; Stage #2: 2-(2-(2-methoxyethoxy)ethoxy)ethyl p-toluenesulfonate In N,N-dimethyl-formamide at 60 - 65℃; Inert atmosphere;

: 98-54-4
para-tert-butylphenol

: 98-29-3
4-tert-Butylcatechol

Conditions

Conditions	Yield
With Agaricus bisporus tyrosinase; oxygen; ascorbic acid In water; acetonitrile at 20℃; for 24h; pH=7; Na-phosphate buffer; Enzymatic reaction;	99%
Stage #1: para-tert-butylphenol With copper(I) hexafluorophosphate; N,N'-di-tert-butylethylenediamine In dichloromethane at -78℃; for 0.25h; Glovebox; Stage #2: With oxygen In dichloromethane at -78℃; under 760.051 Torr; for 4h;	81%
With phosphoric acid	52%

: 98-54-4
para-tert-butylphenol

: 38941-98-9
4-tert-butyl-2-iodophenol

Conditions

Conditions	Yield
With hydrogenchloride; α,α,α-trifluorotoluene; dihydrogen peroxide; iodine In 2,2,2-trifluoroethanol; water at 20℃; for 4h;	99%
With Iodine monochloride In acetic acid for 8h; Heating;	90%
With sulfuric acid; iodine; silica gel; sodium nitrite In acetonitrile at 22℃; for 12h;	85%

: 98-54-4
para-tert-butylphenol

: 446-52-6
2-Fluorobenzaldehyde

: 181297-82-5
2-(4-(tert-butyl)phenoxy)benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl acetamide at 170℃; for 4h;	99%
With potassium carbonate In N,N-dimethyl acetamide for 2h; Heating;	92%
With potassium carbonate In N,N-dimethyl acetamide at 170℃; for 6h; Inert atmosphere;	83%

: 98-54-4
para-tert-butylphenol

: 1079-66-9
chloro-diphenylphosphine

: 175477-25-5
p-tert-butylphenoxydiphenylphosphine

Conditions

Conditions	Yield
With triethylamine In toluene for 18h; Heating;	99%
With triethylamine In tetrahydrofuran for 1h; Ambient temperature;	98%

: 98-54-4
para-tert-butylphenol

: 98-80-6
phenylboronic acid

: 5331-28-2
1-tert-butyl-4-phenoxybenzene

Conditions

Conditions	Yield
With pyridine; cupric acetate immobilized onto Wang resin In dichloromethane at 20℃; for 24h;	99%
With copper diacetate; 4 A molecular sieve; triethylamine In dichloromethane at 25℃; for 18h;	95%
With copper diacetate; 4 A molecular sieve; triethylamine In dichloromethane at 25℃; for 18h; Product distribution; Mechanism; effect of the atmosphere, the amount of the base and the cupric salt, other copper promoters;	71%
With potassium acetate In N,N-dimethyl-formamide at 20℃; for 15h;	70%

4-tert-Butylphenol Chemical Properties

Molecular structure of 4-tert-Butylphenol (CAS NO.98-54-4) is:

Product Name: 4-tert-Butylphenol
CAS Registry Number: 98-54-4
IUPAC Name: 4-tert-Butylphenol
Molecular Weight: 150.21756 [g/mol]
Molecular Formula: C₁₀H₁₄O
XLogP3: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 1
EINECS: 202-679-0
Melting Point: 96-101 °C(lit.)
Refractive index: 1.4787
Water Solubility: 8.7 g/L (20 °C)
Stability: Stable. Incompatible with copper, steel, bases, acid chlorides, acid anhydrides, oxidizing agents.
Surface Tension: 32.9 dyne/cm
Density: 0.971 g/cm³
Flash Point: 110.9 °C
Enthalpy of Vaporization: 48.95 kJ/mol
Boiling Point: 233.7 °C at 760 mmHg
Vapour Pressure: 0.0361 mmHg at 25°C
Product Categories: Industrial/Fine Chemicals;Aromatic Phenols;Organics;Color Former & Related Compounds;Developer;Functional Materials;Highly Purified Reagents;Other Categories;Zone Refined Products;A-B;Alphabetical Listings;Flavors and Fragrances;Proposed BanningMethod Specific;2000/60/EC;76/768/EEC Annex VIII;A-BAlphabetic;Allergens;Alpha sort;B;BI - BZCosmetics;European Community: ISO and DIN;Other AdditivesEuropean Community: ISO and DIN;Pesticides&Metabolites;Organic Building Blocks;Oxygen Compounds;Phenols

4-tert-Butylphenol Uses

4-tert-Butylphenol (CAS NO.98-54-4) is used to synthesize antioxidants and intermediate in the production of varnish and lacquer resins.

4-tert-Butylphenol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	oral	1500mg/kg (1500mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mammal (species unspecified)	LD50	skin	1580mg/kg (1580mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mouse	LD50	intraperitoneal	78mg/kg (78mg/kg)		Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
rabbit	LD50	skin	2520uL/kg (2.52mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat	LCLo	inhalation	5600mg/m³/4H (5600mg/m³)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE	Drug and Chemical Toxicology. Vol. 11, Pg. 43, 1988.
rat	LD50	intraperitoneal	225mg/kg (225mg/kg)		National Technical Information Service. Vol. OTS0573039,
rat	LD50	oral	3250uL/kg (3.25mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470,

4-tert-Butylphenol Safety Profile

Poison by intraperitoneal route. Moderately toxic by skin contact and ingestion. A skin and severe eye irritant. Questionable carcinogen with experimental neoplastigenic data. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid and irritating fumes. See also PHENOL and other butyl phenols.
Hazard Codes: Irritant Xi, Dangerous N
Risk Statements: 37/38-41-51/53
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-39-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
RTECS: SJ8925000
HazardClass: 8
PackingGroup: III
HS Code: 29071900

4-tert-Butylphenol Specification

4-tert-Butylphenol , its cas register number is 98-54-4. It also can be called 4-(1,1-Dimethylethyl)phenol ; Butylphen ; 1-Hydroxy-4-tert-butylbenzene ; 2-tert-Butylphenol ; p-tert-Butylphenol ; Phenol, 4-(1,1-dimethylethyl)- ; Phenol, p-(tert-butyl)- .It is a white crystalline powder and has a disinfectant-like odor. It may float or sink in water. It insoluble in water.

Product Name

4-tert-Butylphenol

Synthetic route

4-tert-Butylphenol Chemical Properties

4-tert-Butylphenol Uses

4-tert-Butylphenol Toxicity Data With Reference

4-tert-Butylphenol Safety Profile

4-tert-Butylphenol Specification

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