English Safety Data Sheet Database 中文版 MSDS

tert-butylbenzene

CAS No. 98-06-6 | PubChem CID 7366
Section 1. Identification
Chemical Nametert-butylbenzene CAS No.98-06-6
Synonyms2-methyl-2-phenylpro-pane Chinese Name叔丁基苯
Molecular FormulaC10H14 Molecular Weight134.2182
UN No.2709 Data SourcePubChem (NIH/NLM)
GHS Hazard Classification
Signal Word DANGER
Pictograms GHS02 · Flammable GHS06 · Acute Toxic GHS07 · Irritant GHS08 · Health Hazard GHS09 · Environmental Hazard
Hazard Statements H226H304H315H319H411H331H371
Precautionary Statements P210P233P240P241P242P243P264P264+P265P273P280P301+P316P302+P352P303+P361+P353P305+P351+P338P321P331P332+P317P337+P317P362+P364P370+P378P391P403+P235P405P501P260P261P270P271P304+P340P308+P316P316P403+P233

Section 2. Hazards Identification

This chemical does not meet GHS hazard criteria for 0.4% (1 of 233) of reports.

H226 (91.8%): Flammable liquid and vapor [Warning Flammable liquids]

H304 (44.6%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H315 (78.1%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (14.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H411 (44.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 233 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria per 1 of 233 reports by companies.

There are 11 notifications provided by 232 of 233 reports by companies with hazard statement code(s).

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

H226: Flammable liquid and vapor [Warning Flammable liquids]

H315: Causes skin irritation [Warning Skin corrosion/irritation]

H331: Toxic if inhaled [Danger Acute toxicity, inhalation]

H371: May cause damage to organs [Warning Specific target organ toxicity, single exposure]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P308+P316, P316, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Section 5. Fire-Fighting Measures

To fight fire, use foam, carbon dioxide, dry chemical, water spray, fog, mist.

Section 6. Accidental Release Measures

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Section 8. Exposure Controls / Personal Protection

7.5 [ppm]

83 [ppm]

500 [ppm]

Section 9. Physical and Chemical Properties

Colorless liquid; [Hawley]

Colorless liquid

169.1 °C

169.1 °C @760 [mm Hg]

-57.8 °C

140 °F (60 °C) OPEN CUP

Miscible with alc, ether, benzene

Insoluble in water; very soluble in ethanol and ethyl ether; miscible in acetone

Soluble in alcohol.

In water, 29.5 mg/l @ 25 °C.

0.8669 @ 20 °C/4 °C

0.8665 @ 20°C

4.62 (Air= 1)

2.2 [mmHg]

Vapor pressure: 5.7 mm Hg @ 38.7 °C

2.20 mm Hg @ 25 °C

0.75 [mm Hg] @10 °C

log Kow= 4.11

842 °F (450 °C)

When heated to decomposition it emits acrid smoke and fumes.

Index of refraction: 1.49235 @ 20 °C/D

Odorous /monobutylbenzenes/

Wt/Vol conversion: 5.98 mg/cu m= 1 ppm

Hydroxyl radical rate constant= 4.60X10-12 cu cm/molecule-sec @ 25 °C

13C nuclear magnetic resonance spectrum

Schoenflies notation

Boiling point

Chemical bond

Chemical diffusion

Chemical shift

Diamagnetic susceptibility

Dielectric constant

Diffusion

Diffusive flux

Excess enthalpy

Fusion temperature

Heat of solution

Heat of sublimation

Internuclear distance

Magnetic susceptibility

Section 10. Stability and Reactivity

Incompatible with oxidizing materials.

Section 11. Toxicological Information

tert-Butylbenzene

Volatile Organic Compound (VOC)

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Neurotoxin - Acute solvent syndrome

PDF Document

Inadequate information to assess carcinogenic potential

SCREEN Current

PPRTV Current

LC50 (rat) = 4,600 mg/m3/4h

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. 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 ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline 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. Administer activated charcoal ... . /Aromatic hydrocarbons and related compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in respiratory arrest. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aromatics hydrocarbons and related compounds/

IN RAT LIVER LYSOSOMES AND MITOCHONDRIA, TERT-BUTYL BENZENE INCREASED THE LIBERATION OF PROTEINS AND ACID PHOSPHATASE ACTIVITY 4 AND 11 TIMES, RESPECTIVELY, INCR THE AMT OF GLUTAMIC DEHYDROGENASE (GLU-DH) ACTIVITY 5 TIMES, & INHIBITED THE FORMATION OF LIPID PEROXIDES SIGNIFICANTLY.

WHEN THE EFFECT OF TERT-BUTYLBENZENE (1 MMOL CONCN) ON MITOCHONDRIAL OXIDATION OF GLUTAMATE, SUCCINATE AND MALATE IN PRESENCE OF OXYGEN IN RAT LIVER MITOCHONDRIA WAS STUDIED, IT REDUCED RESPIRATION BY 30%.

The 100-fold increase in toxicity of intraperitoneal rather than orally administered 2-t-butyl-4-methoxyphenol is adduced to the depressive effect which this compound exerts on the contractility of the gut musculature. A structure/activity relation study shows the t-butyl group on the benzene ring as being the major determinant of ip 2-t-butyl-4-methoxyphenol toxicity. Contractile activity, elicited by field electrical stimulation, acetylcholine or Ba2+, of the ileum longitudinal muscle preparation from 2-t-butyl-4-methoxyphenol-treated rats was greatly reduced 30 min after ip injection, and almost absent during the subsequent 48 hr. Electron-microscope examination of ileum longitudinal muscle also showed partial destruction of cell membranes 4 hr after 2-t-butyl-4-methoxyphenol administration with subsequent mitochondrial swelling and destruction of cristae. myofibrillar fragmentation and cell necrosis. Comparable suppression of contractile activity and morphological damage were observed in 2-t-butyl-4-methoxyphenol or t-butylbenzene incubated ileum segments where longitudinal smooth muscle contractility was irreversibly depressed in a time- and dose-dependent manner. These convergent findings point to the toxic effect of ip 2-t-butyl-4-methoxyphenol on gut musculature with consequent impairment of intestinal transit.

Acute oral toxicity was evaluated in groups of 10 ChR-CD male rats administered a single dose of tert-butyl-benzene by oral gavage at dose levels of 3000, 3400 and 3800 mg/kg body weight. Mortality was observed in one rat at 3000 mg/kg, 2 rats at 3400 mg/kg and 9 rats at 3800 mg/kg body weight; the LD50 value was calculated to be 3503 mg/kg body weight. Clinical observations after dosing included rapid and labored respiration, salivation, prostration, lacrimation, stained nose and mouth, diarrhea, chromodacryorrhea, a stained and wet perineal area, weakness, alopecia on the abdomen, stained eyes, stained abdominal area, and lethargy. Animals at all dose levels exhibited weight loss after dosing. Gross necropsy was not reported.

Acute dermal toxicity was evaluated in 4 male and 4 female rats receiving single occluded, percutaneous doses of undiluted tertiary butyl benzene at a dose level of 2000 mg/kg of body weight. The test article was held in contact with the intact skin for a 24 hour period. Mortality was not observed witihn 14 days of treatment and the LD50 was estimated to be greater than 2000 mg/kg of body weight. Clinical observation revealed no signs of intoxiciation. Gross necropsy was not reported.

Acute inhalation toxicity was evaluated in groups of 5 male and 5 female Wistar strain rats exposed to tertiary butyl benzene at measured concentrations of 4.0, 4.4 and 4.6 mg/lof air. The test armosphere was generated by using a thermostated wick-type saturator. Mortality was observed within 14 days of treatment in 3 of the female rats at the 4.6 mg/l dose; the LC50 was estimated to be approximately 4.6 mg/l. Clinical observations included salivation, lachrymation, a high stepping gait, dyspnoea, fasiculations, tremors, endophthalamus, and convulsions. Gross necropsy evaluation revealed no pathological changes in the survivors but was not reported for those animals that died.

The frequency of chromosomal aberrations was evaluated in vitro by exposing rats liver (RL1) cells to 10, 20 and 40 ug/ml of tertiary butyl benzene. No increases in the frequency of chromatid gaps, chromatid breaks or total chromosome aberrations was observed at any dose level. Tertiary butyl benzene did not induce chromosome damage in this assay.

For more TSCA Test Submissions (Complete) data for T-BUTYLBENZENE (6 total), please visit the HSDB record page.

7.80e+03

1.20e+05

6.90e+02

8.0E+01(G)

1.60e+00

1.00e-01

Volatile

1.83e+02

2.30e+04

3.50e+05

2.10e+03

8.0E+01 (G)

t-Butylbenzene's production and use as chemical intermediate and solvent may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 2.20 mm Hg at 25 °C indicates t-butylbenzene will exist solely as a vapor in the ambient atmosphere. Vapor-phase t-butylbenzene will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 3 days. If released to soil, t-butylbenzene is expected to have low mobility based upon an estimated Koc of 1181. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 1.32X10-2 atm-cu m/mole. t-Butylbenzene may volatilize from dry soil surfaces based upon its vapor pressure. However, adsorption to soil is expected to attenuate volatilization. Biodegradation from soil may occur based on activated sludge study results. If released into water, t-butylbenzene is expected to adsorb to suspended solids and sediment in water based upon the estimated Koc. Biodegradation from water may occur, although volatilzation could not be ruled out. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 1 hr and 4 days, respectively. However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. An estimated BCF of 291 suggests the potential for bioconcentration in aquatic organisms is high. Hydrolysis is not expected to occur due to the lack of hydrolyzable functional groups. Occupational exposure to t-butylbenzene may occur through inhalation and dermal contact with this compound at workplaces where t-butylbenzene is produced or used. (SRC)

t-Butylbenzene's production and use as a chemical intermediate and solvent(1) may result in its release to the environment through various waste streams(SRC). A composite gasoline sample obtained in Los Angeles, CA contained 0.12% t-butylbenzene by weight(2).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1181(SRC), determined from a structure estimation method(2), indicates that t-butylbenzene is expected to have low mobility in soil(SRC). Volatilization of t-butylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given an Henry's Law constant of 1.32X10-2 atm-cu m/mole(3), derived from its vapor pressure, 2.20 mm Hg(4), and water solubility, 29.5 mg/l(5). The potential for volatilization of t-butylbenzene from dry soil surfaces may exist(SRC) based upon its vapor pressure(4). However, adsorption to soil is expected to attenuate volatilization(SRC). Biodegradation from soil may occur based on activated sludge study results(6-9).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1181(SRC), determined from a structure estimation method(11), indicates that t-butylbenzene 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 1.32X10-2 atm-cu m/mole(4), derived from it's vapor pressure of 2.20 mm Hg(7) and water solubility of 29.5 mg/l(8). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1 hr and 4 days, respectively(SRC). The volatilization half-life from a model pond is 30 days if adsorption is considered(9). According to a classification scheme(5), an estimated BCF of 291(SRC), from its log Kow of 4.11(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is high. Biodegradation from water may occur(10).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), t-butylbenzene, which has a vapor pressure of 2.20 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase t-butylbenzene 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 3 days(SRC), calculated from its rate constant of 4.60X10-12 cu cm/molecule-sec at 25 °C(3).

AEROBIC: t-Butylbenzene reached 0.3% of its theoretical BOD using an acclimated activated sludge inoculum and the 5-day BOD test at 20 °C(1). Theoretical BODs ranging from 0.6% to 39.8% were measured using the Warburg test(1,3-5). Alkylbenzenes are known to be oxidized by microorganisms(2). t-Butylbenzene was degraded using Moustorod Refinery wastewater inoculum, exhibiting 14, 100, and 100 % degradation in 7, 15, and 23 days, respectively; similar results were observed in non-aerated tests(6). t-Butylbenzene at a concn of 19-25 ppm was 10 and 30% removed after 20 and 80 days, respectively, in a grab sample study using water from the Ohio River, although volatilization could not be ruled out(7). Biological loss of t-butylbenzene was noted using artificial seawater acclimated with 100 ml gas oil at 20 °C for 3 days and then inoculated with North Sea coast water although the sample compound could not be resolved from 1,2,4-trimethylbenzene(8). t-Butylbenzene at a concn of 100 mg/l in an automated continuous respirometer study resulted in a growth rate of 1.21 1/day using an activated sludge inoculum following a lag of 4.40 days(9).

The rate constant for the vapor-phase reaction of t-butylbenzene with photochemically-produced hydroxyl radicals has been estimated as 4.60X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 3 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). t-Butylbenzene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3) nor to directly photolyze due to the lack of absorption in the environmental UV spectrum (>290 nm).

An estimated BCF of 291 was calculated for t-butylbenzene(SRC), using a log Kow of 4.11(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high.

Soil (Mediterranean red sandy clay) samples with different moisture contents (0.0, 0.8, 4.0, and 12%, wt/wt) were contaminated by vapors and/or liquid from a mixture containing 5 kerosene components (m-xylene, pseudo-cumene, t-butylbenzene (6.67% by vol), n-decane and n-dodecane). Vapor adsorption was found to be dependent on the vapor concn of each component and on the soil moisture content. Adsorption of t-butylbenzene on soil was 50 and 15 ug/g at 7 °C, 120 and 47 at 17 °C, 210 and 60 at 27 °C, and 330 and 100 ug/g at 34 °C for oven dried and air dried soil, respectively. The sorption coefficients of t-butylbenzene decr with incr temp but showed only a very slight variability between 20 and 34 °C, in air-dried soil. Volatilization from soil was high: 92.5% of t-butylbenzene was desorbed in less than 2 hr, and 99.7% in 16 hr.

Section 12. Ecological Information

7.80e+03

1.20e+05

6.90e+02

8.0E+01(G)

1.60e+00

1.00e-01

Volatile

1.83e+02

2.30e+04

3.50e+05

2.10e+03

8.0E+01 (G)

t-Butylbenzene's production and use as chemical intermediate and solvent may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 2.20 mm Hg at 25 °C indicates t-butylbenzene will exist solely as a vapor in the ambient atmosphere. Vapor-phase t-butylbenzene will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 3 days. If released to soil, t-butylbenzene is expected to have low mobility based upon an estimated Koc of 1181. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 1.32X10-2 atm-cu m/mole. t-Butylbenzene may volatilize from dry soil surfaces based upon its vapor pressure. However, adsorption to soil is expected to attenuate volatilization. Biodegradation from soil may occur based on activated sludge study results. If released into water, t-butylbenzene is expected to adsorb to suspended solids and sediment in water based upon the estimated Koc. Biodegradation from water may occur, although volatilzation could not be ruled out. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 1 hr and 4 days, respectively. However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. An estimated BCF of 291 suggests the potential for bioconcentration in aquatic organisms is high. Hydrolysis is not expected to occur due to the lack of hydrolyzable functional groups. Occupational exposure to t-butylbenzene may occur through inhalation and dermal contact with this compound at workplaces where t-butylbenzene is produced or used. (SRC)

t-Butylbenzene's production and use as a chemical intermediate and solvent(1) may result in its release to the environment through various waste streams(SRC). A composite gasoline sample obtained in Los Angeles, CA contained 0.12% t-butylbenzene by weight(2).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1181(SRC), determined from a structure estimation method(2), indicates that t-butylbenzene is expected to have low mobility in soil(SRC). Volatilization of t-butylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given an Henry's Law constant of 1.32X10-2 atm-cu m/mole(3), derived from its vapor pressure, 2.20 mm Hg(4), and water solubility, 29.5 mg/l(5). The potential for volatilization of t-butylbenzene from dry soil surfaces may exist(SRC) based upon its vapor pressure(4). However, adsorption to soil is expected to attenuate volatilization(SRC). Biodegradation from soil may occur based on activated sludge study results(6-9).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1181(SRC), determined from a structure estimation method(11), indicates that t-butylbenzene 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 1.32X10-2 atm-cu m/mole(4), derived from it's vapor pressure of 2.20 mm Hg(7) and water solubility of 29.5 mg/l(8). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1 hr and 4 days, respectively(SRC). The volatilization half-life from a model pond is 30 days if adsorption is considered(9). According to a classification scheme(5), an estimated BCF of 291(SRC), from its log Kow of 4.11(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is high. Biodegradation from water may occur(10).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), t-butylbenzene, which has a vapor pressure of 2.20 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase t-butylbenzene 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 3 days(SRC), calculated from its rate constant of 4.60X10-12 cu cm/molecule-sec at 25 °C(3).

AEROBIC: t-Butylbenzene reached 0.3% of its theoretical BOD using an acclimated activated sludge inoculum and the 5-day BOD test at 20 °C(1). Theoretical BODs ranging from 0.6% to 39.8% were measured using the Warburg test(1,3-5). Alkylbenzenes are known to be oxidized by microorganisms(2). t-Butylbenzene was degraded using Moustorod Refinery wastewater inoculum, exhibiting 14, 100, and 100 % degradation in 7, 15, and 23 days, respectively; similar results were observed in non-aerated tests(6). t-Butylbenzene at a concn of 19-25 ppm was 10 and 30% removed after 20 and 80 days, respectively, in a grab sample study using water from the Ohio River, although volatilization could not be ruled out(7). Biological loss of t-butylbenzene was noted using artificial seawater acclimated with 100 ml gas oil at 20 °C for 3 days and then inoculated with North Sea coast water although the sample compound could not be resolved from 1,2,4-trimethylbenzene(8). t-Butylbenzene at a concn of 100 mg/l in an automated continuous respirometer study resulted in a growth rate of 1.21 1/day using an activated sludge inoculum following a lag of 4.40 days(9).

The rate constant for the vapor-phase reaction of t-butylbenzene with photochemically-produced hydroxyl radicals has been estimated as 4.60X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 3 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). t-Butylbenzene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3) nor to directly photolyze due to the lack of absorption in the environmental UV spectrum (>290 nm).

An estimated BCF of 291 was calculated for t-butylbenzene(SRC), using a log Kow of 4.11(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high.

Soil (Mediterranean red sandy clay) samples with different moisture contents (0.0, 0.8, 4.0, and 12%, wt/wt) were contaminated by vapors and/or liquid from a mixture containing 5 kerosene components (m-xylene, pseudo-cumene, t-butylbenzene (6.67% by vol), n-decane and n-dodecane). Vapor adsorption was found to be dependent on the vapor concn of each component and on the soil moisture content. Adsorption of t-butylbenzene on soil was 50 and 15 ug/g at 7 °C, 120 and 47 at 17 °C, 210 and 60 at 27 °C, and 330 and 100 ug/g at 34 °C for oven dried and air dried soil, respectively. The sorption coefficients of t-butylbenzene decr with incr temp but showed only a very slight variability between 20 and 34 °C, in air-dried soil. Volatilization from soil was high: 92.5% of t-butylbenzene was desorbed in less than 2 hr, and 99.7% in 16 hr.

Using a structure estimation method based on molecular connectivity indices(1), the Koc for t-butylbenzene can be estimated to be 1181(SRC). According to a classification scheme(2), this estimated Koc value suggests that t-butylbenzene is expected to have low mobility in soil.

The Henry's Law constant for t-butylbenzene is estimated as 1.32X10-2 atm-cu m/mole(SRC), derived from its vapor pressure, 2.20 mm Hg(1), and water solubility, 29.5 mg/l(2). This Henry's Law constant indicates that t-butylbenzene is expected to volatilize rapidly 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 1 hr(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 5 days(SRC). The volatilization half-life from a model pond is 8 days if adsorption is considered(4). t-Butylbenzene's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of t-butylbenzene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 2.20 mm Hg(1).

GROUNDWATER: t-Butylbenzene was detected in 10% of 30 randomly selected wells collected from Denver, CO in 1993 at a maximum concn of 1.1 ug/l(1). Land-use settings include residential, commercial, and industrial(1).

DRINKING WATER: t-Butylbenzene has been identified in drinking water samples, locations not specified(1).

t-Butylbenzene was detected, not quantified in the raw influent to a waste treatment system at a polyester finishing plant effluent(1). The compound was identified as a volatile from pre-aeration wastewater samples taken from a sewage treatment plant in Singapore(4). It was also identified as one of the 400 gas-phase hydrocarbon compounds in emissions from gasoline-powered motor vehicles in highway operation in the Allegheny Mountain Tunnel of the Pennsylvania Turnpike in 1979(2). t-Butylbenzene has been identified in effluent resulting from coal/refuse combustion(3).

SOIL: t-Butylbenzene was detected at a maximum concn of 141 mg/kg in soil under a building which was recently demolished. Contamination was caused by leakages of solvents and paint raw materials over many years(1).

URBAN/SUBURBAN: t-Butylbenzene was detected using gas chromatographic analysis of Paris air during the fall of 1972(1). The ambient air of the Los Angeles, CA basin contained t-butylbenzene at concns ranging from 0.019 to 0.045 ppm v/v(2). t-Butylbenzene was detected in the ambient air of the Kanawha Valley, WV, Houston, TX and vicinity, and the Los Angeles, CA basin(3). It was detected in ambient air of Los Angeles, CA during 1966-1968 and in Azusa, CA in 1967(4).

SOURCE DOMINATED: t-Butylbenzene was identified not quantified in the air of six industrial cities of the USSR(1). t-Butylbenzene was detected at concns ranging from 0 to 39 ug/cu m in ambient air samples from six sites around Gatwick Airport, London, collected during August to November 1979(2).

t-Butylbenzene was identified as one of the 420 volatile flavor components of Idaho Russet Burbank baked potatoes, at a relative concn of 0.16, the most abundant being "1"(1).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 28 workers (none of these are female) are potentially exposed to t-butylbenzene in the US(1). Mono-substituted butylbenzenes were detected in the printing (3%), painting (8%), car repair (10%), and various other areas (13%) in Belgium industries and workshops(2). Occupational exposure to t-butylbenzene may occur through inhalation and dermal contact with this compound at workplaces where t-butylbenzene is produced or used(SRC).

Section 13. Disposal Considerations

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Section 14. Transport Information

UN 2709; Butylbenzenes

IMO 3.3; t-Butylbenzene

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./

The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.

The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Source: PubChem CID 7366 (NIH/NLM, public domain). Retrieved from PubChem, a public-domain chemistry database maintained by the U.S. National Library of Medicine. Last updated: 2026-08-02 09:56:43.
Disclaimer: This information is compiled for reference only and does not replace the manufacturer's official Safety Data Sheet. Always consult the supplier's SDS before handling any chemical.