Basic information
- Name:
4-tert-Butylphenol
- CAS No.:
98-54-4
- Molecular Structure:
- Formula:
- C10H14O
- Molecular Weight:
- 150.22
- 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;
- EINECS:
- 202-679-0
- Density:
- 0.971 g/cm3
- Melting Point:
- 96-101 °C(lit.)
- Boiling Point:
- 233.7 °C at 760 mmHg
- Flash Point:
- 110.9 °C
- Solubility:
- 8.7 g/L (20 °C) in water
- Appearance:
- white crystalline powder and has a disinfectant-like odor
- Hazard Symbols:
Xi,
N- Risk Codes:
- 37/38-41-51/53
- Safety Description:
- 26-39-61 Details
- Transport Information:
- UN 3077 9/PG 3
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Chemistry
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
Uses
4-tert-Butylphenol (CAS NO.98-54-4) is used to synthesize antioxidants and intermediate in the production of varnish and lacquer resins.
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, |
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: 
Xi,
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
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.
