2-tert-Butylphenol supplier

Name
2-tert-Butylphenol
EINECS 201-807-2
CAS No. 88-18-6
Article Data147
CAS DataBase
Density 0.971 g/cm³
Solubility water: 0.23 g/100 mL (20 °C)
Melting Point -7 °C(lit.)
Formula C₁₀H₁₄O
Boiling Point 221 °C at 760 mmHg
Molecular Weight 150.221
Flash Point 98.9 °C
Transport Information UN 2922 8/PG 2
Appearance clear liquid
Safety 26-36/37/39-45-61
Risk Codes 21/22-23-34-51/53-22
Molecular Structure
Hazard Symbols T,N
Synonyms Phenol,o-tert-butyl- (8CI);2-(1,1-Dimethylethyl)phenol;2-tert-Butyl-1-hydroxybenzene;o-t-Butylphenol;o-tert-Butylphenol;
PSA 20.23000
LogP 2.68970

Synthetic route

: 373354-37-1
3-tert-butyl-bicyclo[3.1.0]hex-3-en-2-one

: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
In chloroform Irradiation;	98%

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

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

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

Conditions

Conditions	Yield
With zeolite Beta at 40℃; for 6h; Reagent/catalyst; Temperature; Time;	A 91.74% B 5.08%
30% TPA/ZrO2 at 80℃; for 1 - 10h; Product distribution / selectivity;
20% TSA/ZrO2 at 80℃; for 6h; Product distribution / selectivity;

...Expand

: 85686-09-5
2-t-butyl-1-isopropoxybenzene

: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
With n-butyllithium; carbon dioxide	87%

: (+)-cis-(1S,2R)-3-t-butyl-3,5-cyclohexadiene-1,2-diol

A: 585-34-2
3-tert-butylphenyol

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

Conditions

Conditions	Yield
With sodium hydroxide In water at 25℃;	A 87% B n/a

: 676-58-4
methylmagnesium chloride

: 346433-44-1
2-(tert-butoxycarbonyloxy)acetophenone

: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
In diethyl ether at 0℃; Grignard reaction;	75%

: 676-58-4
methylmagnesium chloride

: methyl 2-((tert-butoxycarbonyl)oxy)benzoate

: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
In diethyl ether at 0℃; Grignard reaction;	75%

: 1571889-86-5
C19H34N3OPd(1+)*ClO4(1-)

: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
In dimethylsulfoxide-d6 at 110℃; Concentration; Solvent; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;	74.1%

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

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

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

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

Conditions

Conditions	Yield
With aluminium(III) phenoxide In various solvent(s) at 130℃; for 2h;	A 9.4% B 1.8% C 70.4%

...Expand

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

: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
at 300℃; for 24h;	69%

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

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

B: 108-95-2
phenol

Conditions

Conditions	Yield
at 300℃; for 24h; Product distribution; other temperatures;	A 69% B 6 % Chromat.

: 115-11-7
isobutene

: 108-95-2
phenol

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

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

C: 6669-13-2
t-butyl phenyl ether

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

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

Conditions

Conditions	Yield
2-phenoxy-1,2-thialuminolane at 110℃; for 3h; Product distribution; Mechanism; other catalysts, other time, other temperature;	A 1.23% B 4.97% C 0.8% D 66.67% E 2.37%

...Expand

: 115-11-7
isobutene

: 108-95-2
phenol

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

B: 6669-13-2
t-butyl phenyl ether

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

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

Conditions

Conditions	Yield
2-phenooxy-1,2-thialuminolane at 110℃; for 3h; Further byproducts given;	A 4.97% B 0.8% C 66.67% D 2.37%

...Expand

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

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

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

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

Conditions

Conditions	Yield
With carbon tetrabromide at 175℃; for 6h; Sealed tube;	A 65% B 6% C 29%
With 30 wtpercent pyrophosphoric acid onto mesoporous molecular sieve Al-MCM-41(70) at 189.84℃; for 8h; Inert atmosphere;	A 62.17% B 5.7 %Chromat. C 12.5 %Chromat.
With granular zeolite Y in the H-form at 175℃; for 6h; Sealed tube;	A 17% B 20% C 17%

...Expand

: 6669-13-2
t-butyl phenyl ether

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

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

Conditions

Conditions	Yield
With aluminium(III) ion In chlorobenzene at 100℃; for 1h;	A 55% B 4%

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

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

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
With carbon tetrabromide at 175℃; for 6h; Sealed tube;	A 39% B 2% C 55% D 5%
With carbon tetrabromide at 175℃; for 6h; Reagent/catalyst; Temperature; Sealed tube;	A 39% B 4% C 52% D 5%
With carbon tetrabromide at 175℃; for 6h; Concentration; Time; Sealed tube;	A 41% B 8% C 44% D 2%

...Expand

: 513-35-9
2-methyl-but-2-ene

: 115-11-7
isobutene

: 108-95-2
phenol

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

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

C: 80-46-6
4-t-amylphenol

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

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

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

G: 122269-03-8
2-t-butyl-4-(1,1-dimethylpropyl)-phenol

H: 122269-05-0
4-tert-butyl-2-(1,1-dimethyl-propyl)-phenol

Conditions

Conditions	Yield
Stage #1: isobutene; phenol; Fulcat 22B catalyst at 130 - 140℃; for 1.5h; Inert atmosphere; Stage #2: 2-methyl-but-2-ene at 130℃; for 3.25h;	A 50.8% B 1.4% C 15.3% D 17.6% E 0.3% F 1.3% G 10.7% H 10.7%

...Expand

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

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

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
With carbon tetrabromide at 175℃; for 6h; Sealed tube;	A 33% B 3% C 9% D 49%
With 3-methyl-1-(4-sulfobutyl)imidazol-3-ium methanesulfonate at 70℃; for 2h; Temperature; Sealed tube;
With 1-(4-sulfonic acid)butylpyridinium methane sulfonate at 80℃; for 2h; Reagent/catalyst; Sealed tube;
With N-(4-sulfonic acid)butyl triethylammonium methane sulfonate at 80℃; for 2h; Catalytic behavior; Kinetics; Temperature; Reagent/catalyst; Sealed tube;

...Expand

: 115-11-7
isobutene

: 108-95-2
phenol

: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
With aluminium trichloride; potassium phenolate In chloroform at 25℃; for 10h;	40%
at 330℃; under 83847.9 Torr;
at 260 - 330℃;

: (1,4,7-trimethyl-1,4,7-triazacyclononane)NiII(CH2CMe2-o-C6H4)

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

B: 56846-74-3
1,1-dimethyl-1,2-dihydrocyclobutabenzene

Conditions

Conditions	Yield
With oxygen In [D3]acetonitrile; water-d2 at -5℃; for 0.0833333h; Inert atmosphere; Schlenk technique;	A 5% B 40%

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

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

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

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

Conditions

Conditions	Yield
With carbon tetrabromide at 150℃; for 6h; Sealed tube;	A 9% B 10% C 20% D 39% E 14%
With carbon tetrabromide at 175℃; for 6h; Sealed tube;	A 6% B 13% C 16% D 34% E 25%
With tetrachloromethane at 175℃; for 6h; Sealed tube;	A 17% B 4% C 21% D 23% E 7%
With Bromoform at 175℃; for 6h; Sealed tube;	A 21% B 1% C 21% D 22% E 1%

...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

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

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

B: 6669-13-2
t-butyl phenyl ether

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

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

Conditions

Conditions	Yield
With 5 wtpercent pyrophosphoric acid onto mesoporous molecular sieve Al-MCM-41(70) at 109.84℃; for 8h; Inert atmosphere;	A 22.7% B 30.1% C 25.5% D 21.2%
H7P2Mo17VO62 at 80℃; for 4h; Product distribution; Further Variations:; Catalysts;
With Sulfanilic acid immobilized onto rice husk ash via 3-(chloropropyl)triethoxy-silane at 120℃; for 9h; Mechanism; Concentration; Temperature; Time; chemoselective reaction;

...Expand

: 2786-02-9
2-lithiofuran

: 2-tert-Butylphenyl triflate

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

B: 2-(3-tert-Butylphenyl)furan

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran; hexane 1.) -78 deg C, 2 h, 2.) r.t., 10 h; Yields of byproduct given;	A 20% B n/a
With lithium diisopropyl amide In tetrahydrofuran; hexane 1.) -78 deg C, 2 h, 2.) r.t., 10 h; Yield given;	A 20% B n/a

...Expand

: 98-54-4
para-tert-butylphenol

: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
Ku-2-8chS at 80℃; for 16h; Equilibrium constant; Product distribution; other catalysis, other temperature, other time;
In neat (no solvent) at 79.9 - 209.9℃; Equilibrium constant; effect of temperature;
With aluminum oxide; silica gel at 190 - 230℃;

: 108-90-7
chlorobenzene

: 513-36-0
isobutyryl chloride

A: 585-34-2
3-tert-butylphenyol

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

Conditions

Conditions	Yield
With aluminium trichloride Erhitzen des Reaktionsprodukts mit wss. NaOH und Cu2O auf 250grad;

...Expand

: 75-28-5
Isobutane

: 115-11-7
isobutene

: 108-95-2
phenol

: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
With aluminum oxide; silica gel at 150 - 200℃; under 66195.7 Torr;

...Expand

: 115-11-7
isobutene

: 108-95-2
phenol

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

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

Conditions

Conditions	Yield
KU-23 sulfonated cation-exchanger at 59.9℃; Product distribution; relative reactivity, other olefin, mixture of butylenes, other temperature, other concentrations;
With aluminium trichloride; potassium phenolate In chloroform at 25℃; for 10h; Product distribution; different amounts of PhOK;
With sulfuric acid at 100 - 110℃; Erhitzen des Reaktionsprodukts mit geringen Mengen konz. Schwefelsaeure unter 25-30 Torr;
With boric acid; oxalic acid at 45℃;

...Expand

: 507-20-0
tertiary butyl chloride

: 108-95-2
phenol

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

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

Conditions

Conditions	Yield
at 125 - 170℃;
With silica chloride at 70℃; for 3h;
With o-tetrachloroquinone; C16H21IMoO3 In 1,2-dichloro-ethane at 80℃; for 12h; Friedel-Crafts Alkylation; Inert atmosphere; Schlenk technique; Green chemistry; Overall yield = 90.3 %; regioselective reaction;
at 125 - 170℃;

...Expand

: 507-20-0
tertiary butyl chloride

: 108-95-2
phenol

: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
With oil at 60 - 120℃;
at 125℃;

: 88-18-6
2-tert-Butylphenol

: 3602-55-9
2-tert-butyl-1,4-benzoquinone

Conditions

Conditions	Yield
With μ-Oxo-I,I'-bis(trifluoroacetato-O)-I,I'-diphenyldiiodine(III) In water; acetonitrile at 0℃; for 2h;	100%
With titanium superoxide; dihydrogen peroxide; acetic acid In water at 50℃; for 2h;	98%
With oxygen In water; acetonitrile at 40℃; under 15001.5 Torr; for 1h; Green chemistry;	91%

: 88-18-6
2-tert-Butylphenol

: 10323-39-4
4-bromo-2-tert-butylphenol

Conditions

Conditions	Yield
With tetra-N-butylammonium tribromide In chloroform at 20℃; for 3h;	100%
With ammonium metavanadate; aluminum tri-bromide; oxygen In diethyl ether at 20℃; for 8h;	99%
With tetra-N-butylammonium tribromide In dichloromethane at 23℃; for 2h;	98%

: 88-18-6
2-tert-Butylphenol

: 553-94-6
4-bromo-m-xylene

: 3-tert-butyl-2',5'-dimethylbiphenyl-2-ol

Conditions

Conditions	Yield
With tris(triphenylphosphine)rhodium(I) chloride; caesium carbonate; diisopropyl(2-tert-butyl)phenoxyphosphine In toluene for 18h; Heating;	100%
With caesium carbonate; diisopropyl(2-tert-butyl)phenoxyphosphine; RhCl(PPh3)3 In toluene for 18h; Heating;	100%
With caesium carbonate; chloro(1,5-cyclooctadiene)rhodium(I) dimer In toluene for 18h; Heating;	94 % Spectr.

: 2398-37-0
3-methoxyphenyl bromide

: 88-18-6
2-tert-Butylphenol

: 3-tert-butyl-3'-methoxybiphenyl-2-ol

Conditions

Conditions	Yield
With caesium carbonate; diisopropyl(2-tert-butyl)phenoxyphosphine; RhCl(PPh3)3 In toluene for 18h; Heating;	100%

: 578-57-4
2-bromoanisole

: 88-18-6
2-tert-Butylphenol

: 3-tert-butyl-2'-methoxybiphenyl-2-ol

Conditions

Conditions	Yield
With caesium carbonate; diisopropyl(2-tert-butyl)phenoxyphosphine; RhCl(PPh3)3 In toluene for 18h; Heating;	100%

: 1498-42-6
phosphorodichloridous acid ethyl ester

: 88-18-6
2-tert-Butylphenol

: 851348-76-0
di-(2-tert-butylphenyl) ethyl phosphite

Conditions

Conditions	Yield
With triethylamine In toluene at 0 - 20℃; for 3.5h;	100%
With triethylamine In diethyl ether; toluene at 0 - 20℃; for 3.5h;	94%

: 88-18-6
2-tert-Butylphenol

: 1795-48-8
Isopropyl isocyanate

: 899427-15-7
2-tert-butylphenyl isopropylcarbamate

Conditions

Conditions	Yield
	100%

: 88-18-6
2-tert-Butylphenol

: 106-96-7
propargyl bromide

: 55619-88-0
1-(tert-butyl)-2-(prop-2-yn-1-yloxy)benzene

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile	100%
With potassium carbonate In acetonitrile at 20℃; for 48h;	90%
With potassium carbonate In acetonitrile at 20℃; for 48h;	90%

: 7647-01-0
hydrogenchloride

: 88-18-6
2-tert-Butylphenol

: 20942-68-1
2-bromo-5-(1,1-dimethylethyl)phenol

Conditions

Conditions	Yield
With tetra-n-butylammonium tribromide In methanol; dichloromethane; water	100%

: 88-18-6
2-tert-Butylphenol

: 13491-79-7
2-tert-butylcyclohexan-1-ol

Conditions

Conditions	Yield
With hydrogen In water at 40℃; under 7500.75 Torr; for 6h; Autoclave;	99.2%
With nickel(II) oxide; hydrogen; palladium In hexane at 100℃; under 22502.3 Torr; for 8h;	92%
With 5%-palladium/activated carbon; hydrogen at 90 - 100℃; under 15001.5 Torr;

: 3888-00-4
nitropentafluoroacetone

: 88-18-6
2-tert-Butylphenol

: 123557-88-0
2-(2-hydroxy-1-nitropentafluoroisopropyl)-6-tert-butylphenol

Conditions

Conditions	Yield
In tetrachloromethane at 25℃; for 48h; various phenols and phenolates, other polyfluorophenyl compounds;	99.1%
In tetrachloromethane at 25℃; for 48h;	99.1%

: 88-18-6
2-tert-Butylphenol

: 74-88-4
methyl iodide

: 2944-48-1
2-tert-butylanisole

Conditions

Conditions	Yield
Stage #1: 2-tert-Butylphenol With potassium hydroxide In tetrahydrofuran at 10 - 20℃; Inert atmosphere; Stage #2: methyl iodide In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	99%
Stage #1: 2-tert-Butylphenol With sodium hydroxide In N,N-dimethyl-formamide; mineral oil for 1h; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil for 2h;	80%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 24h;	33%

: 88-18-6
2-tert-Butylphenol

: 23159-87-7
2-bromo-6-(tert-butyl)phenol

Conditions

Conditions	Yield
With N-Bromosuccinimide; diisopropylamine In dichloromethane at 20℃; for 1.5h;	99%
With N-Bromosuccinimide; diisopropylamine In dichloromethane for 16h; Inert atmosphere; Reflux;	96%
With N-Bromosuccinimide; diisopropylamine In dichloromethane for 16h; Reflux; Inert atmosphere;	95%

: 88-18-6
2-tert-Butylphenol

: 364-73-8
4-Bromo-1-fluoro-2-nitrobenzene

: 4-bromo-1-(2-tert-butylphenoxy)-2-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 4h;	99%
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 4h;	99%

: 88-18-6
2-tert-Butylphenol

: C13H20N3O3(1+)*I(1-)

: C19H27NO4

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 80℃; for 20h;	99%

: 88-18-6
2-tert-Butylphenol

: 1079-66-9
chloro-diphenylphosphine

: 675140-11-1
PPh2(OC6H4-2-(t)Bu)

Conditions

Conditions	Yield
With triethylamine In toluene for 18h; Heating;	98.5%

: 88-18-6
2-tert-Butylphenol

: 13395-86-3
2-(tert-butyl)-4,6-dichlorophenol

Conditions

Conditions	Yield
With N-chloro-succinimide; triphenylphosphine sulfide In dichloromethane at 20℃; for 12h;	98%
With pyridine; sulfuryl dichloride
With hydrogenchloride; manganese(II) sulfate; dihydrogen peroxide In water at 80℃;	81 %Chromat.

: 88-18-6
2-tert-Butylphenol

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

: 95932-30-2
Carbonic acid tert-butyl ester 2-tert-butyl-phenyl ester

Conditions

Conditions	Yield
With potassium carbonate; 18-crown-6 ether In tetrahydrofuran at 0℃; for 20h;	98%
With 6,7-dimethoxyisoquinoline In dichloromethane at 20℃; for 10h; Inert atmosphere; chemoselective reaction;	93%

: 88-18-6
2-tert-Butylphenol

: 31502-36-0
tri(o-t-butylphenyl)phosphite

Conditions

Conditions	Yield
With triethylamine; phosphorus trichloride In tetrahydrofuran at 0 - 20℃; for 24h; Inert atmosphere;	98%
With 2,3-Dimethylaniline; phosphorus trichloride In xylene 1.) room temperature, 2.) reflux, 2 h;	90%
With phosphorus trichloride at 160℃;	70%

: 88-18-6
2-tert-Butylphenol

: 350-46-9
4-Fluoronitrobenzene

: 1-(tert-butyl)-2-(4-nitrophenoxy)benzene

Conditions

Conditions	Yield
With potassium fluoride on basic alumina; 18-crown-6 ether In acetonitrile for 84h; Heating;	98%
With cesium fluoride/clinoptilolite In dimethyl sulfoxide at 110℃; for 0.75h; Ullmann Condensation;	98%
With potassium fluoride supported on Clinoptilolite In dimethyl sulfoxide at 110 - 115℃; for 2h;	87%

: 88-18-6
2-tert-Butylphenol

: 107-14-2
chloroacetonitrile

: 202821-16-7
(2-tert-butylphenoxy)acetonitrile

Conditions

Conditions	Yield
With potassium carbonate In acetone Heating;	98%

: 88-18-6
2-tert-Butylphenol

: 1493-27-2
ortho-nitrofluorobenzene

: 212691-73-1
1-(tert-butyl)-2-(2-nitrophenoxy)benzene

Conditions

Conditions	Yield
With potassium fluoride on basic alumina; 18-crown-6 ether In acetonitrile for 68h; Heating;	97%

: 88-18-6
2-tert-Butylphenol

: 60803-26-1
2-(tert-butyl)-4,6-diiodophenol

Conditions

Conditions	Yield
Stage #1: 2-tert-Butylphenol With sodium hydroxide; sodium hypochlorite; sodium iodide In methanol at -2 - 2℃; Stage #2: With hydrogenchloride; water In methanol pH=3; Product distribution / selectivity;	97%
Stage #1: 2-tert-Butylphenol With sodium hydroxide; sodium hypochlorite; sodium iodide In methanol; water at -2 - 1.3℃; Stage #2: With hydrogenchloride; water In methanol pH=2; Product distribution / selectivity;	93%
Stage #1: 2-tert-Butylphenol With sodium hydroxide In methanol Stage #2: With sodium hypochlorite; sodium iodide In methanol; water at -2 - 1.3℃; Stage #3: With hydrogenchloride In methanol; water at 1.2 - 4.1℃; for 1.61667h; pH=3; Product distribution / selectivity;	93%

: 88-18-6
2-tert-Butylphenol

A: 3602-55-9
2-tert-butyl-1,4-benzoquinone

B: 1948-33-0
tert-butylhydroquinone

Conditions

Conditions	Yield
With dihydrogen peroxide; Ti-superoxide In water; acetic acid at 50 - 60℃; for 1.25h; Product distribution / selectivity;	A 97% B 0.7%

: 88-18-6
2-tert-Butylphenol

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: C16H25BO3

Conditions

Conditions	Yield
In [D3]acetonitrile at 20℃; Inert atmosphere;	97%

: 626-05-1
2,6-Dibromopyridine

: 88-18-6
2-tert-Butylphenol

: 2,6-bis(2-tert-butylphenoxy)pyridine

Conditions

Conditions	Yield
With copper(l) iodide; caesium carbonate In 1-methyl-pyrrolidin-2-one at 160℃; for 24h; Inert atmosphere; Schlenk technique;	97%

: 88-18-6
2-tert-Butylphenol

: 728-87-0
4,4'-Dimethoxybenzhydrol

: 77464-14-3
4-[Bis-(4-methoxy-phenyl)-methyl]-2-tert-butyl-phenol

Conditions

Conditions	Yield
aluminium trichloride In diethyl ether at 20℃; for 72h;	96%

: 88-18-6
2-tert-Butylphenol

: 99-90-1
para-bromoacetophenone

: 3-tert-butyl-4'-acetylbiphenyl-2-ol

Conditions

Conditions	Yield
With tris(triphenylphosphine)rhodium(I) chloride; P(iPr)2(O-C6H4-2-tBu); caesium carbonate In toluene for 18h; Heating;	96%
With caesium carbonate; diisopropyl(2-tert-butyl)phenoxyphosphine; RhCl(PPh3)3 In toluene for 18h; Heating;	96%

: 88-18-6
2-tert-Butylphenol

: 40244-90-4
Chlorodiisopropylphosphane

: 521273-02-9
diisopropyl(2-tert-butyl)phenoxyphosphine

Conditions

Conditions	Yield
With triethylamine In toluene for 18h; Heating;	96%

2-tert-Butylphenol Consensus Reports

Reported in EPA TSCA Inventory.

2-tert-Butylphenol Specification

The 2-tert-Butylphenol, with the cas registry number 88-18-6, is a kind of clear liquid. Its product categories are including Industrial/Fine Chemicals; Organic Building Blocks; Oxygen Compounds; Phenols.

The characteristics of this chemical are as follows: (1)ACD/LogP: 3.17; (2)ACD/LogD (pH 5.5): 3.17; (3)ACD/LogD (pH 7.4): 3.17; (4)ACD/BCF (pH 5.5): 151.15; (5)ACD/BCF (pH 7.4): 151.14; (6)ACD/KOC (pH 5.5): 1263.67; (7)ACD/KOC (pH 7.4): 1263.53; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 46.52 cm³; (14)Molar Volume: 154.5 cm³; (15)Polarizability: 18.44 ×10^-24 cm³; (16)Surface Tension: 32.9 dyne/cm; (17)Density: 0.971 g/cm³; (18)Flash Point: 98.9 °C; (19)Enthalpy of Vaporization: 47.61 kJ/mol; (20)Boiling Point: 221 °C at 760 mmHg; (21)Vapour Pressure: 0.074 mmHg at 25°C; (22)Exact Mass: 150.104465; (23)MonoIsotopic Mass: 150.104465; (24)Topological Polar Surface Area: 20.2; (25)Heavy Atom Count: 11; (26)Complexity: 123.

The production method is as below: 2-methyl-propene could react with phenol to produce 2-tert-Butylphenol, with the following condition: reagent: aluminium phenolate; reaction temp.: 115-170 ℃; reaction pressure: 2942.03 - 10297.1.

Use of 2-tert-Butylphenol is as below: 2-tert-Butylphenol could react with chloroacetic acid to produce (2-tert-butyl-phenoxy)-acetic acid, with the following condition: reagent:aqueous NaOH.

When dealing with this chemical, you should be cautious and then take some measures to protect yourself. For one thing, it is toxic. It may at low levels cause damage to health, and It is harmful if by inhalation, in contact with skin or if swallowed. Then it may cause burn. For anothe thing, it is dangerous for the environment. It may present an immediate or delayed danger to one or more components of the environment, and then being toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment. Therefore, we could take the following instructions.
In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Wear suitable protective clothing, gloves and eye/face protection, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Besides, avoid releasig to the environment, with refering to special instructions/safety data sheet.

Additionally, the following data information could be converted into the molecular structure:
(1)SMILES:Oc1ccccc1C(C)(C)C
(2)InChI:InChI=1/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
(3)InChIKey:WJQOZHYUIDYNHM-UHFFFAOYAN

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	82mg/kg (82mg/kg)		Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
rabbit	LD50	skin	7450mg/kg (7450mg/kg)		National Technical Information Service. Vol. OTS0558707,
rat	LC50	inhalation	1070mg/m3/4H (1070mg/m3)		National Technical Information Service. Vol. OTS0558707,
rat	LD50	oral	440mg/kg (440mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	National Technical Information Service. Vol. OTS0558707,
rat	LD50	skin	705mg/kg (705mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: COMA	National Technical Information Service. Vol. OTS0558758

Product Name

2-tert-Butylphenol

Synthetic route

2-tert-Butylphenol Consensus Reports

2-tert-Butylphenol Specification

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