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% |
Conditions | Yield |
---|---|
With 2,5-dihydrotoluene In toluene at 30℃; for 2h; | 96% |
With 1,4-dihydronicotinamide adenine dinucleotide In water; acetonitrile at 30℃; Rate constant; pH=7.0; | |
Rate constant; pH 7.00; reaction with substrate reduced glucose oxidase; |
Conditions | Yield |
---|---|
With 1,3-dimethyl-2-imidazolidinone; lithium diisopropyl amide In tetrahydrofuran; n-heptane; ethylbenzene at 185℃; for 12h; further reagent: NaN(SiMe3)2; | 94% |
4-(tert-butyl)-1,2-dimethoxybenzene
4-tert-Butylcatechol
Conditions | Yield |
---|---|
With 1,3-dimethyl-2-imidazolidinone; lithium diisopropyl amide In tetrahydrofuran; n-heptane; ethylbenzene at 185℃; for 12h; | 93% |
4-tert-butyl-1,2-cyclohexanediol
A
para-tert-butylphenol
B
4-tert-Butylcatechol
Conditions | Yield |
---|---|
With potassium carbonate; palladium on activated charcoal at 300℃; for 10h; Product distribution; | A 12% B 86% |
4-tert-Butylcatechol
Conditions | Yield |
---|---|
With aluminum (III) chloride In benzene for 1h; Reflux; | 83% |
4-tert-Butylcatechol
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol at 25℃; for 12h; | 83% |
Conditions | Yield |
---|---|
at 119.84℃; for 2h; Reagent/catalyst; | 81.7% |
2,4,6-tri-tert-butylphenoxol
catechol titanium salt
A
2,4-di-tert-Butylphenol
B
3-tert-butylbenzene-1,2-diol
C
4-tert-Butylcatechol
Conditions | Yield |
---|---|
shearing stress; | A 80% B 60% C 20% |
4-tert-Butylcatechol
Conditions | Yield |
---|---|
Stage #1: di-tert-butyl-(4-tert-butylphenoxy)silanol With palladium(II) trimethylacetate; [bis(acetoxy)iodo]benzene In toluene at 100℃; Inert atmosphere; Stage #2: With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; Stage #3: With water In tetrahydrofuran | 78% |
Conditions | Yield |
---|---|
75% |
Conditions | Yield |
---|---|
With Wofatit OK 80 In xylene at 140 - 145℃; | 69% |
With sulfuric acid In trifluoroacetic acid at 40℃; for 16h; | 50% |
With phosphoric acid; xylene | |
1-butyl-3-methylimidazolium heptachlorodiindate (III) at 90 - 110℃; for 3h; Product distribution / selectivity; In ionic liquid; |
2,4,6-tri-tert-butylphenoxol
benzene-1,2-diol
A
2,4-di-tert-Butylphenol
B
3-tert-butylbenzene-1,2-diol
C
4-tert-Butylcatechol
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid | A 60% B 40% C 15% |
Conditions | Yield |
---|---|
With iodine; oxygen; dimethyl sulfoxide at 80℃; for 12h; | 58% |
tert-butylbenzene
A
3-tert-butylfuran-2,5-dione
B
para-tert-butylphenol
C
2-tert-butyl-1,4-benzoquinone
D
3-tert-butylphenyol
E
4-tert-Butylcatechol
Conditions | Yield |
---|---|
With Fe2(N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine)2(μ2-Cl)2Cl2; dihydrogen peroxide In acetonitrile at 70℃; for 2h; | A 5% B 52% C 15% D 17% E 18% |
6-tert-butyl-1,4-benzodioxin
A
4-t-butyl-1,2-benzoquinone
B
4-tert-Butylcatechol
Conditions | Yield |
---|---|
With ozone 1.) CH2Cl2, -78 deg C, 2.) CH2Cl2, -78 deg C, irradiation; Yield given. Multistep reaction; | A n/a B 47% |
With ozone 1.) CH2Cl2, -78 deg C, 2.) CH2Cl2, -78 deg C, irradiation; Yield given. Multistep reaction; | A 22% B n/a |
5-tert-Butyl-2,9,11,12,13-pentaoxa-tricyclo[8.2.1.03,8]trideca-3,5,7-triene
A
4-t-butyl-1,2-benzoquinone
B
4-tert-Butylcatechol
Conditions | Yield |
---|---|
In dichloromethane at -78℃; for 1h; Irradiation; | A 22% B 47% |
methanol
4-t-butyl-1,2-benzoquinone
A
4-tert-butyl-5-methoxy-1,2-benzoquinone
B
4-tert-Butylcatechol
Conditions | Yield |
---|---|
for 1h; Ambient temperature; Irradiation; | A 25% B 45% |
Conditions | Yield |
---|---|
With copper(I) oxide; sodium hydroxide |
Conditions | Yield |
---|---|
With ethanol; palladium Hydrogenation.Behandeln des Reaktionsprodukts mit wss. H2SO4; |
4-t-butyl-1,2-benzoquinone
A
4-tert-Butylcatechol
B
2-tert-butyl-5-hydroxy-1,4-benzoquinone
Conditions | Yield |
---|---|
With sodium hydroxide; sodium silicate; diethylenetriaminopentaacetic acid; dihydrogen peroxide In water at 40℃; for 1h; Mechanism; pH 10.0; |
3,5-Di-tert-butylcatechol
benzene-1,2-diol
A
3-tert-butylbenzene-1,2-diol
B
4-tert-Butylcatechol
Conditions | Yield |
---|---|
cation-exchangers KU-23; protonic acid at 129.9℃; Equilibrium constant; diff. temp.; | |
With Amberlist 15 H+ form at 99.85 - 209.85℃; Equilibrium constant; Thermodynamic data; |
Conditions | Yield |
---|---|
cation-exchangers KU-23; protonic acid at 129.9℃; Equilibrium constant; diff. temp.; | |
With Amberlist 15 H+ form at 99.85 - 209.85℃; Equilibrium constant; Thermodynamic data; |
t-butyl bromide
benzene-1,2-diol
A
3-tert-butylbenzene-1,2-diol
B
4-tert-Butylcatechol
Conditions | Yield |
---|---|
silica gel In dichloromethane at 30℃; for 24h; Product distribution; |
para-tert-butylphenol
benzene-1,2-diol
A
4-tert-Butylcatechol
B
phenol
Conditions | Yield |
---|---|
cation-exchangers KU-23; protonic acid at 129.9℃; Equilibrium constant; diff. temp.; | |
With Amberlist 15 H+ form at 99.85 - 209.85℃; Equilibrium constant; Thermodynamic data; |
2,4-di-tert-Butylphenol
benzene-1,2-diol
A
2-tert-Butylphenol
B
4-tert-Butylcatechol
Conditions | Yield |
---|---|
cation-exchangers KU-23; protonic acid at 129.9℃; Equilibrium constant; diff. temp.; | |
With Amberlist 15 H+ form at 99.85 - 209.85℃; Equilibrium constant; Thermodynamic data; |
2-bromo-5-(1,1-dimethylethyl)phenol
4-tert-Butylcatechol
Conditions | Yield |
---|---|
With sodium hydroxide at 225℃; |
4-tert-Butylcatechol cyclic phosphate
A
4-tert-Butylcatechol
B
phosphoric acid mono(5-t-butyl 2-hydroxyphenyl) ester
Conditions | Yield |
---|---|
With potassium chloride; 5-(β-Cyclodextrinylamino)-5-deoxy-α-D-ribose In phosphate buffer at 25℃; pH=7.4; Product distribution; Kinetics; Further Variations:; Reagents; Hydrolysis; |
4-tert-Butylcatechol
Conditions | Yield |
---|---|
With Tocopherol In benzene at 24.84℃; Kinetics; |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; tris(triphenylphosphine)ruthenium(II) chloride In acetone for 18h; Ambient temperature; | 100% |
With sodium sulfate; silver(l) oxide In diethyl ether for 0.0833333h; | 100% |
With periodate Ultra resin In dichloromethane at 20℃; for 0.5h; | 100% |
piperidine
4-tert-Butylcatechol
tri-n-butyl(vinyl)tin
1-hexanoyl-3,4-dimethyl-4-(3-vinylphenyl)-piperidine
Conditions | Yield |
---|---|
With lithium chloride; tetrakis(triphenylphosphine)palladium (0) In tetrahydrofuran | 100% |
With lithium chloride; tetrakis(triphenylphosphine)palladium (0) In tetrahydrofuran | 100% |
Conditions | Yield |
---|---|
Stage #1: 4-tert-Butylcatechol; 4-(4-chlorophenoxy)-3,5,6-trifluorophthalonitrile With potassium carbonate In acetonitrile at 80℃; for 2h; Stage #2: 2-Phenylphenol With potassium carbonate In acetonitrile at 80℃; for 10h; | 99% |
Conditions | Yield |
---|---|
With sodium metabisulfite; N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In water at 40 - 50℃; under 2250.23 Torr; Temperature; Reagent/catalyst; Pressure; | 98.93% |
4-tert-Butylcatechol
acetic anhydride
1,2-diacetoxy-4-tert-butyl-benzene
Conditions | Yield |
---|---|
tetrafluoroboric acid; silica gel at 20℃; for 6h; | 98% |
indium(III) chloride at 20℃; for 0.25h; | 91% |
With pyridine | |
With pyridine at 20℃; |
Conditions | Yield |
---|---|
With potassium carbonate In sulfolane; xylene at 170 - 175℃; for 6h; | 98% |
2-((1-bromo-3-chloropropan-2-yl)oxy)tetrahydro-2H-pyran
4-tert-Butylcatechol
7-(tert-butyl)-3,4-dihydro-3-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-1,5-benzodioxepine
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 24h; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate In sulfolane; toluene at 150 - 155℃; for 6h; | 97% |
Conditions | Yield |
---|---|
With potassium carbonate In sulfolane; xylene at 170 - 175℃; for 6h; | 97% |
Conditions | Yield |
---|---|
In chloroform-d1 at 25℃; for 0.5h; Equilibrium constant; Sealed tube; | 97% |
With DOWEX In chloroform at 50℃; for 3h; | 87% |
Conditions | Yield |
---|---|
In chloroform-d1 at 25℃; for 0.5h; Equilibrium constant; Sealed tube; | 97% |
With DOWEX In chloroform at 50℃; for 3h; | 79% |
Conditions | Yield |
---|---|
With manganese oxide octahedral molecular sieve-supported copper hydroxide; air In ethanol at 20℃; for 2h; Green chemistry; | 97% |
Conditions | Yield |
---|---|
96.1% |
Conditions | Yield |
---|---|
With sodium acetate; potassium hexacyanoferrate(III) In water for 1h; Michael addition reaction; | 96% |
Conditions | Yield |
---|---|
In chloroform-d1 at 25℃; for 0.5h; Equilibrium constant; Sealed tube; | 96% |
With DOWEX In chloroform at 50℃; for 3h; | 91% |
Conditions | Yield |
---|---|
In chloroform-d1 at 25℃; for 0.5h; Equilibrium constant; Sealed tube; | 96% |
With DOWEX In chloroform at 50℃; for 3h; | 85% |
Conditions | Yield |
---|---|
Stage #1: 4-tert-Butylcatechol; tetrafluoroterephthalonitrile In N,N-dimethyl-formamide Inert atmosphere; Glovebox; Stage #2: With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 25h; Inert atmosphere; Glovebox; | 96% |
N-(4-chlorophenyl)-S-(trifluoromethyl)thiohydroxylamine
4-tert-Butylcatechol
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid In dichloromethane at 20℃; for 20h; | 96% |
4-tert-Butylcatechol
dimethyl sulfate
4-(tert-butyl)-1,2-dimethoxybenzene
Conditions | Yield |
---|---|
With potassium hydroxide In tetrahydrofuran; water Flow reactor; | 94% |
With sodium hydroxide In methanol; water at -5℃; for 0.05h; | 20% |
Conditions | Yield |
---|---|
In chloroform-d1 at 25℃; for 0.5h; Equilibrium constant; Sealed tube; | 94% |
With DOWEX In chloroform at 50℃; for 3h; | 91% |
methanol
4-tert-Butylcatechol
Dimethyl (2E,4Z)-3-tert-butylhexa-2,4-diene-1,6-dioate
Conditions | Yield |
---|---|
With lead(IV) acetate In toluene at 20℃; Ring cleavage; oxidation; | 93% |
With lead(IV) acetate In toluene at 25℃; |
4-tert-Butylcatechol
cyclohexanone
5-t-butylspiro<1,3-benzodioxole-2,1'-cyclohexane>
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene for 8h; Heating; | 92% |
4-tert-Butylcatechol
4-Fluoronitrobenzene
1,2-bis(4-nitrophenoxy)-4-tert-butylbenzene
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide; xylene at 130 - 135℃; for 4h; | 92% |
4-tert-Butylcatechol
triethoxyantimony
2-ethoxy-5-t-butyl-1,3,2-benzodioxastibole
Conditions | Yield |
---|---|
In methanol soln. of (C4H9)(C6H3)(OH)2 was added dropwise to a soln. of Sb(OC2H5)3,1h stirring at room temperature,argon atmosphere; precipitate was collected by filtration; | 92% |
4-tert-Butylcatechol
2-mercapto-5-methyl-1,3,4-thiadiazole
5-tert-butyl-4-(5-methyl-1,3,4-thiadiazol-2-ylthio)benzene-1,2-diol
Conditions | Yield |
---|---|
In acetonitrile pH=6.0; aq. acetate buffer; Electrolysis; | 92% |
Conditions | Yield |
---|---|
In chloroform-d1 at 25℃; for 0.5h; Equilibrium constant; Sealed tube; | 92% |
With DOWEX In chloroform at 50℃; for 3h; | 82% |
Molecular Structure:
Molecular Formula: C10H14O2
Molecular Weight: 166.217
IUPAC Name: 4-Tert-butylbenzene-1,2-diol
Synonyms of 4-tert-Butylcatechol (CAS NO.98-29-3): 1,2-Dihydroxy-4-tert-butylbenzene ; 4-06-00-06014 (Beilstein Handbook Reference) ; 4-TBC ; 4-t-Butylcatechol ; 4-t-Butylpyrocatechol ; 4-tert-Butyl-1,2-benzenediol ; 4-tert-Butyl-1,2-dihydroxybenzene ; 4-tert-Butylcatechin ; 4-tert-Butylpyrocatechol ; 4-tert-Butylpyrokatechin ; 4-tert-Butylpyrokatechin [Czech] ; AI3-24363 ; BRN 2043335 ; CCRIS 3332 ; EINECS 202-653-9 ; NSC 5310 ; Synox TBC ; p-t-Butylpyrocatechol ; p-tert-Butylcatechol ; p-tert-Butylpyrocatechol ; 1,2-Benzenediol, 4-(1,1-dimethylethyl)- ; Pyrocatechol, 4-tert-butyl- ; p-tert-Butylcatechol ; t-Butyl catechol
CAS NO: 98-29-3
Classification Code: Antioxidants ; Mutation data ; Protective Agents ; Skin / Eye Irritant ; TSCA Flag T [Subject to the Section 4 test rule under TSCA] ; Tumor data
Melting Point: 52-55 °C
Index of Refraction: 1.545
Molar Refractivity: 48.4 cm3
Molar Volume: 152.9 cm3
Surface Tension: 40.2 dyne/cm
Density: 1.086 g/cm3
Flash Point: 135.5 °C
Enthalpy of Vaporization: 54.65 kJ/mol
Boiling Point: 286.3 °C at 760 mmHg
Vapour Pressure: 0.00155 mmHg at 25°C
4-tert-Butylcatechol (CAS NO.98-29-3) is a derivative of catechol which is used as a stabilizer in the making of polyurethane foam. It is also can be used as an antioxidant for synthetic rubber,polymers and oil derivatives. It can be used as purification agent for aminoformate catalysts.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 32mg/kg (32mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07874, | |
rabbit | LD50 | skin | 630uL/kg (0.63mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rat | LD50 | oral | 2820mg/kg (2820mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rat | LDLo | skin | 2gm/kg (2000mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0571349, |
Reported in EPA TSCA Inventory.
Safety Information of 4-tert-Butylcatechol (CAS NO.98-29-3):
Hazard Codes: C ,N ,T
Risk Statements: 34-43-51/53-21/22-39/23/24/25-20/21/22-10
R34: Causes burns.
R43: May cause sensitization by skin contact.
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R39: Danger of very serious irreversible effects.
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R10: Flammable.
Safety Statements: 26-36/37/39-45-61-24
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 the label whenever possible.)
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
S24: Avoid contact with skin.
RIDADR: UN 2923 8/PG 3
WGK Germany: 2
RTECS: UX1400000
HazardClass: 8
PackingGroup: III
HS Code: 29072900
A poison by intravenous route. Moderately toxic by ingestion and skin absorption. A severe skin and eye irritant. Mutation data reported. Combustible when exposed to heat or flame. To fight fire, use CO2, dry chemical, fog, mist. When heated to decomposition it emits acrid and irritating fumes.
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