4-tert-Butylphenol

Modify Date: 2024-01-02 21:49:55

4-tert-Butylphenol Structure
4-tert-Butylphenol structure
Common Name 4-tert-Butylphenol
CAS Number 98-54-4 Molecular Weight 150.218
Density 1.0±0.1 g/cm3 Boiling Point 233.7±9.0 °C at 760 mmHg
Molecular Formula C10H14O Melting Point 96-101 °C(lit.)
MSDS Chinese USA Flash Point 110.9±8.2 °C
Symbol GHS05 GHS08 GHS09
GHS05, GHS08, GHS09
Signal Word Danger

 Names

Name 4-tert-butylphenol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 233.7±9.0 °C at 760 mmHg
Melting Point 96-101 °C(lit.)
Molecular Formula C10H14O
Molecular Weight 150.218
Flash Point 110.9±8.2 °C
Exact Mass 150.104462
PSA 20.23000
LogP 3.17
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.514
Stability Stable. Incompatible with copper, steel, bases, acid chlorides, acid anhydrides, oxidizing agents.
Water Solubility 8.7 g/L (20 ºC)

 MSDS

Name: 4-tert.-Butylphenol 97% Material Safety Data Sheet
Synonym: Phenol, p-(tert-butyl)-; p-terc.Butylfenol; Butylphen; p-tert-Butylphenol; 4-t-Butylphenol; 4-(1,1-Dimethylethyl)phenol; 1-Hydroxy-4-tert-butylbenzene; Phenol, 4-(1,1-dimethylethyl)-; PTB
CAS: 98-54-4
Section 1 - Chemical Product MSDS Name:4-tert.-Butylphenol 97% Material Safety Data Sheet
Synonym:Phenol, p-(tert-butyl)-; p-terc.Butylfenol; Butylphen; p-tert-Butylphenol; 4-t-Butylphenol; 4-(1,1-Dimethylethyl)phenol; 1-Hydroxy-4-tert-butylbenzene; Phenol, 4-(1,1-dimethylethyl)-; PTB

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
98-54-4 4-tert-Butylphenol 97 202-679-0
Hazard Symbols: XN
Risk Phrases: 36/37/38 42/43

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. May cause sensitization by inhalation and skin contact.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes severe eye irritation.
Skin:
Causes skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
Ingestion:
Causes gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. In rare instances, exposure may cause sensitization, resulting in inflammation of the mucous membranes and in eczematous eruptions.
Chronic:
Repeated or prolonged exposure may cause allergic reactions in sensitive individuals.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 98-54-4: Germany: 0.08 ppm TWA; 0.5 mg/m3 TWA Germany: Skin absorber Netherlands: 0.1 ppm MAC; 0.5 mg/m3 MAC Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white to almost white
Odor: None reported.
pH: Not available.
Vapor Pressure: 13 hPa @ 115 C
Viscosity: Not available.
Boiling Point: 236 - 238 deg C @ 760.00mm Hg
Freezing/Melting Point: 96 - 100 deg C
Autoignition Temperature: 510 deg C ( 950.00 deg F)
Flash Point: 113 deg C ( 235.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in alcohol and ether
Specific Gravity/Density: .9080g/cm3
Molecular Formula: C10H14O
Molecular Weight: 150.22

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 98-54-4: SJ8925000 LD50/LC50:
CAS# 98-54-4: Draize test, rabbit, eye: 10 mg Severe; Draize test, rabbit, eye: 50 ug/24H Severe; Draize test, rabbit, skin: 500 mg/4H Mild; Draize test, rabbit, skin: 500 mg/24H Mild; Oral, mouse: LD50 = 1030 mg/kg; Oral, rat: LD50 = 3250 uL/kg; Skin, rabbit: LD50 = 2520 uL/kg.
Carcinogenicity:
4-tert-Butylphenol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Fathead Minnow: LC50 = 5.1 mg/L; 96 Hr; UnspecifiedWater flea Daphnia: EC50 = 4.2 mg/L; 24 Hr; UnspecifiedBacteria: Phytobacterium phosphoreum: EC50 = 0.21 mg/L; 5 min; Microtox test

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: ALKYLPHENOLS, SOLID, N.O.S.
Hazard Class: 8
UN Number: 2430
Packing Group: III
IMO
Shipping Name: ALKYLPHENOLS, SOLID, N.O.S.
Hazard Class: 8
UN Number: 2430
Packing Group: III
RID/ADR
Shipping Name: ALKYLPHENOLS, SOLID, N.O.S.
Hazard Class: 8
UN Number: 2430
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
R 42/43 May cause sensitization by inhalation and
skin contact.
Safety Phrases:
S 22 Do not breathe dust.
S 24 Avoid contact with skin.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 98-54-4: 2
Canada
CAS# 98-54-4 is listed on Canada's DSL List.
CAS# 98-54-4 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98-54-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SJ8925000
CHEMICAL NAME :
Phenol, p-(tert-butyl)-
CAS REGISTRY NUMBER :
98-54-4
LAST UPDATED :
199710
DATA ITEMS CITED :
22
MOLECULAR FORMULA :
C10-H14-O
MOLECULAR WEIGHT :
150.24
WISWESSER LINE NOTATION :
QR DX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 11,43,1988
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,224,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 11,43,1988
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,224,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3250 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5600 mg/m3/4H
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory depression Skin and Appendages - primary irritation (after topical exposure) Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 11,43,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
78 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,868,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2520 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(10),16,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
1580 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(10),16,1980 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
252 gm/kg/20W-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Gastrointestinal - tumors
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 7,1285,1986 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 10 ppm (60 mg/m3);STEL 20 ppm (120 mg/m3) JAN 1993 OEL-AUSTRIA:TWA 0.08 ppm (0.5 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 0.08 ppm (0.5 mg/m3);Skin JAN 1993 OEL-GERMANY:TWA 0.08 ppm (0.5 mg/m3);Skin JAN 1993 OEL-SWITZERLAND:TWA 0.08 ppm (0.5 mg/m3);STEL 0.4 ppm;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81915 No. of Facilities: 3505 (estimated) No. of Industries: 42 No. of Occupations: 40 No. of Employees: 29500 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81915 No. of Facilities: 4673 (estimated) No. of Industries: 55 No. of Occupations: 64 No. of Employees: 97601 (estimated) No. of Female Employees: 19779 (estimated)

 Safety Information

Symbol GHS05 GHS08 GHS09
GHS05, GHS08, GHS09
Signal Word Danger
Hazard Statements H315-H318-H361f-H411
Precautionary Statements P201-P273-P280-P305 + P351 + P338 + P310-P308 + P313-P501
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant;N:Dangerousfortheenvironment;
Risk Phrases R37/38;R41;R51/53
Safety Phrases S26-S39-S61
RIDADR UN 3077 9/PG 3
WGK Germany 2
RTECS SJ8925000
Packaging Group III
Hazard Class 8
HS Code 2907199090

 Synthetic Route

 Customs

HS Code 2907199090
Summary 2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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 Synonyms

1-tert-Butyl-4-hydroxybenzene
QR DX1&1&1
4-tert-Butylphenol
Phenol, 4-(1,1-dimethylethyl)-
MFCD00002367
4-(2-Methyl-2-propanyl)phenol
p-tert-butylphenol
EINECS 202-679-0
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