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4-tert-Butylphenol
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Name

4-tert-Butylphenol

 EINECS 202-679-0
CAS No. 98-54-4 Density 0.971 g/cm3
PSA 20.23000 LogP 2.68970
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 Molecular Structure of 98-54-4 (4-tert-Butylphenol) Hazard Symbols IrritantXi,DangerousN
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;

Article Data 417

4-tert-Butylphenol Synthetic route

507-20-0

tertiary butyl chloride

108-95-2

phenol

98-54-4

para-tert-butylphenol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;A 99%
B 89%
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
ConditionsYield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 2.5h; Schlenk technique;A 99%
B 94%
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
ConditionsYield
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique;A 99%
B 99%

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: IrritantXi,DangerousN
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.

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