2,4,6-Tri-tert-butylphenol

262.43

262.43

211-989-5

99J2VIC675

14459

DTXSID2021311

Crystals from alcohol, petroleum ether

29071990

20.2

6.6

Liquid

0.864 g/cu cm at 27 deg C

131 °C

278 °C

130 °C

1.490

H2O: insoluble

-20°C

6.61X10-4 mm Hg at 25 deg C

LD50 oral in rat: 1670mg/kg

Henry's Law constant = 6.5X10-6 atm-cu m/mol at 25 °C (est)

pKa = 12.19

Hydroxyl radical reaction rate constant = 1.60X10-11 cu cm/molec-sec at 25 °C (est)

Ⅲ

9

UN 2430 8/PG 3

3

11-22-34-50-53-36/37/38-51/53

26-36/37/39-45-60-61-24/25

SN3570000

F,C,N,Xi,Xn

Storage stability: Stable under recommended storage conditions. Materials to avoid: Bases, Acid chlorides, Acid anhydrides, Oxidizing agents, Brass, Copper. Hazardous decomposition products - Carbon oxides.

P273-P301 + P312 + P330-P391

H302-H400

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.|Observe all federal, state, and local environmental regulations.

Materials to avoid: Bases, acid chlorides, acid anhydrides, oxidizing agents, brass, copper.

EPA/Office of Pollution Prevention and Toxics; High Production Volume Information System (HPVIS) Detailed Chemical Results for Phenol, 2,4,6-tris(1,1-dimethylethyl)- (732-26-3).[Available from, as of June 8, 2009: http://iaspub.epa.gov/oppthpv/quicksearch.display?pChem=100221]

|Warning|H302 (30.85%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 656 companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P301+P312, P304+P340, P312, P314, P330, P403+P233, P405, and P501

Personal protective equipment: Respiratory protection- Where risk assessment shows air-purifying respirators are appropriate use a dust mask type N95 (US) or type P1 (EN 143) respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Hand protection- Handle with gloves. For prolonged or repeated contact use protective gloves. Eye protection- Safety glasses.|Hand protection: Handle with gloves. For prolonged or repeated contact use protective gloves.|Eye protection: Safety glasses.|Skin and body protection: Choose body protection according to the amount and concentration of the dangerous substance at the work place.|Provide appropriate exhaust ventilation at places where dust is formed. Normal measures fro preventive fire protection.

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.|Special protective equipment for fire-fighters: Wear self contained breathing apparatus for fire fighting if necessary.

Personal precautions: Use personal protective equipment. Avoid dust formation. Avoid breathing dust. Ensure adequate ventilation.|Environmental precautions: Do not let product enter drains.|Methods for cleaning up: Pick up and arrange disposal without creating dust. Keep in suitable, closed containers for disposal.

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.|In case of skin contact: Wash off with soap and plenty of water. Consult a physician.|In case of eye contact: Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.|Handling: Avoid formation of dust and aerosols.|Hygiene measures: Handle in accordance with good industrial and safety practice. Wash hands before breaks and at the end of workday.

May cause respiratory tract irritation. May be harmful if absorbed through skin. May cause skin irritation. May cause eye irritation.

2,4,6-Tris(1,1-dimethylethyl)phenol was released from textile floor coverings in chamber studies under static conditions(1).

LD50 Rat oral 1,670 mg/kg|LD50 Rat (male) oral 1670 mg/kg|LD50 Rat (female) oral 1610 mg/kg

2,4,6-Tris(1,1-dimethylethyl)phenol's production and use as an additive in fuel, oil, gasoline or lubricants(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 63,000(SRC), determined from a log Kow of 6.06(2) and a regression-derived equation(3), indicates that 2,4,6-tris(1,1-dimethylethyl)phenol is expected to be immobile in soil(SRC). Volatilization of 2,4,6-tris(1,1-dimethylethyl)phenol from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 6.5X10-6 atm-cu m/mole(SRC), derived from its vapor pressure, 6.61X10-4 mm Hg(4), and water solubility, 35 mg/L(2). However, adsorption to soil is expected to attenuate volatilization(SRC). 2,4,6-Tris(1,1-methylethyl)phenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Utilizing the Japanese MITI test, 0% of the theoretical BOD was reached in 4 weeks using an activated sludge(5), suggesting that biodegradation is not an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 63,000(SRC), determined from a log Kow of 6.06(2) and a regression-derived equation(3), indicates that 2,4,6-tris(1,1-dimethylethyl)phenol is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 6.5X10-6 atm-cu m/mole(SRC), derived from its vapor pressure, 6.61X10-4 mm Hg(4), and water solubility, 35 mg/L(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 9 and 73 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 440 years if adsorption is considered(5). According to a classification scheme(6), measured BCF values of 4830-16,000 and 4320-23,200 in carp (Cyprinus carpio) exposed to 10 and 1 ppb, respectively(7), suggest bioconcentration in aquatic organisms is very high(SRC). Utilizing the Japanese MITI test, 0% of the theoretical BOD was reached in 4 weeks using an activated sludge(7), suggesting that biodegradation is not an important environmental fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2,4,6-tris(1,1-dimethylethyl)phenol, which has a vapor pressure of 6.61X10-4 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 2,4,6-tris(1,1-dimethylethyl)phenol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 24 hours(SRC), calculated from its rate constant of 1.6X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase 2,4,6-tris(1,1-dimethylethyl)phenol may be removed from the air by wet or dry deposition(SRC). 2,4,6-Tris(1,1-dimethylethyl)phenol does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of 2,4,6-tris(1,1-dimethylethyl)phenol with photochemically-produced hydroxyl radicals has been estimated as 1.6X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 24 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 2,4,6-Tris(1,1-dimethylethyl)phenol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 2,4,6-Tris(1,1-dimethylethyl)phenol does not contain chromophores that absorb at wavelengths >290 nm(2) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

1.38e+04|BCF values of 4,830-16,000 and 4,320-23,200 were measured in carp (Cyprinus carpio) exposed to 10 and 1 ppb, respectively, of 2,4,6-tris(1,1-dimethylethyl)phenol over an 8-week period(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is very high(SRC).

The Koc of 2,4,6-tris(1,1-dimethylethyl)phenol is estimated as 63,000(SRC), using a log Kow of 6.06(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,4,6-tris(1,1-dimethylethyl)phenol is expected to be immobile in soil.

The Henry's Law constant for 2,4,6-tris(1,1-methylethyl)phenol is estimated as 6.5X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 6.61X10-4 mm Hg(1), and water solubility, 35 mg/L(2). This Henry's Law constant indicates that 2,4,6-tris(1,1-dimethylethyl)phenol is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 9 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 73 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 440 years if adsorption is considered(4). 2,4,6-Tris(1,1-dimethylethyl)phenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 12,085 workers (239 of these were female) were potentially exposed to 2,4,6-tris(1,1-dimethylethyl)phenol in the US(1). Occupational exposure to 2,4,6-tris(1,1-dimethylethyl)phenol may occur through inhalation and dermal contact with this compound at workplaces where 2,4,6-tris(1,1-dimethylethyl)phenol is produced or used. Use data indicate that the general population may be exposed to 2,4,6-tris(1,1-dimethylethyl)phenol via inhalation and dermal contact with products containing this compound(SRC).

64.57 Days

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

/ALTERNATIVE and IN VITRO TESTS/ 2,4,6-Tri-tert-butylphenol (TBP) ... produced phenoxyl radicals at pH >or= 9.0 and 2,4-di-t-butylphenol (DBP) at pH 12.5, but 3,3',5,5'-tetra-t-butyl-1,1'-biphenyl-2,2'-diol (bisDBP) did not ... . Both superoxide anion radical (O(2)(-)) scavenging activity and reactive oxygen species (ROS) production activity declined in the order of TBP > DBP > bisDBP. The cytotoxic activity against human oral tumor cell lines (HSC-2, HSG) and human gingival fibroblast cells (HGF) declined in the order of DBP >> bisDBP = TBP = TBP-OOH (2,4,6-tri-t-butyl-4-hydroperoxy-2,5-cyclohexadiene-1-one). The cytotoxic activity of TBP, but not of DBP or bisDBP was significantly enhanced after visible light (VL)-irradiation for 10 min. The cytotoxicity of irradiated TBP was significantly higher than that of either original TBP or TBP-OOH, the oxidative metabolite of TBP, possibly due to the formation of TBP stable radical and ROS via oxidation. In contrast, the cytotoxic activity of DBP and bisDBP was independent of radical production, and therefore, may be intrinsic. A non-enzymatic oxidation decomposition of DBP or TBP was estimated from the formation of reaction enthalpy (DeltaH) using a modified neglect of diatomic overlap, parametric method 3 (MNDO-PM3) semi-empirical method, suggesting that O(2) is capable of activating DBP to a reactive quinone or dimer and that TBP phenoxyl radicals via oxidation directly affect extra- or intracellular bioactive materials, resulting in the induction of cytotoxicity.

2,4,6-tri-tert-butylphenol

All other basic organic chemical manufacturing|Phenol, 2,4,6-tris(1,1-dimethylethyl)-: ACTIVE