4-tert-Butyltoluene
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4-tert-Butyltoluene
structure -
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CAS No:
98-51-1
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Formula:
C11H16
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Chemical Name:
4-tert-Butyltoluene
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Synonyms:
Benzene,1-(1,1-dimethylethyl)-4-methyl-;Toluene,p-tert-butyl-;1-(1,1-Dimethylethyl)-4-methylbenzene;p-tert-Butyltoluene;1-tert-Butyl-4-methylbenzene;4-Methyl-tert-butylbenzene;1-Methyl-4-tert-butylbenzene;4-tert-Butyltoluene;4-tert-Butyl-1-methylbenzene;p-Methyl-tert-butylbenzene;NSC 6589;1-Methyl-4-(1,1-dimethylethyl)benzene
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CAS No:
Description
colourless liquid
P-tert-butyltoluene is a clear colorless liquid with an aromatic gasoline-like odor. (NTP, 1992)|COLOURLESS-TO-YELLOW LIQUID WITH CHARACTERISTIC ODOUR.|Colorless liquid with a distinct aromatic odor, somewhat like gasoline.
P-tert-butyltoluene is a clear colorless liquid with an aromatic gasoline-like odor. (NTP, 1992)
4-tert-Butyltoluene Basic Attributes
148.24
148.24
2038670
202-675-9
589519D43L
1068
6589
2667
DTXSID1024704
CLEAR, COLORLESS LIQ|Colorless liquid.
29029080
Characteristics
0
4.35
Clear colorless to faint yellow Liquid
0.8612 g/cm3 @ Temp: 20 °C
-52 °C
193 °C @ Press: 760 Torr
150 °F
1.486
H2O: 0.06 g/100 mL (20 ºC)
Flammables area
Vapour pressure, Pa at 20°C: 80
Relative vapour density (air = 1): 5.1
Oral-rat LD50: 1555 mg/kg; Oral-Mouse LD50: 778 mg/kg
In case of heat, open flame is flammable; thermal decomposition is spicy and stimulates smoke
0.7-7%(V)
DISTINCT AROMATIC ODOR
1.40e-11 cm3/molecule*sec
Henry's Law constant= 0.01535 atm-cu m/mole (est)
Flammable. Insoluble in water.
Hydrocarbons, Aromatic
P-TERT-BUTYLTOLUENE may react with oxidizing materials. (NTP, 1992)
510 °C
8.28 eV
Class IIIA Combustible Liquid: Fl.P. at or above 140°F and below 200°F.
As a result of flow, agitation, etc., electrostatic charges can be generated.
Safety Information
III
6.1
UN 1993 3/PG 3
2
10-20/21/22-36/37/38-23-22-52/53-51/53
16-26-36/37/39-45-28A-61
XS8400000
Xn,T,N
The warehouse is ventilated, low-temperature and dry; stored and transported separately from food raw materials and oxidants
Stable. Combustible. Incompatible with strong oxidizing agents.
P273, P391, P501
H401
Oxidizers.
This chemical is combustible. (NTP, 1992)|Combustible. Above 63 °C explosive vapour/air mixtures may be formed.|Flammable - 2nd degree
|Danger|H226 (92.46%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P281, P284, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P307+P311, P308+P313, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 252 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P281, P284, P301+P312, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P312, P314, P320, P330, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501
Fires involving this compound should be controlled with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)|Use water spray, alcohol-resistant foam, dry powder, carbon dioxide.
Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Skin: Wear appropriate personal protective clothing to prevent skin contact. Eyes: Wear appropriate eye protection to prevent eye contact. Wash skin: The worker should immediately wash the skin when it becomes contaminated. Remove: Work clothing that becomes wet or significantly contaminated should be removed and replaced. Change: No recommendation is made specifying the need for the worker to change clothing after the work shift. (NIOSH, 2016)|Wear appropriate personal protective clothing to prevent skin contact.|Wear appropriate eye protection to prevent eye contact.|Recommendations for respirator selection. Max concn for use: 100 ppm. Respirator Class(es): Any supplied-air respirator operated in a continuous flow mode. Eye protection needed. Any powered, air-purifying respirator with organic vapor cartridge(s). Eye protection needed. Any chemical cartridge respirator with a full facepiece and organic vapor cartridge(s). Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister. Any self-contained breathing apparatus with a full facepiece. Any supplied-air respirator with a full facepiece.|Recommendations for respirator selection. Condition: Emergency or planned entry into unknown concn or IDLH conditions: Respirator Class(es): Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive-pressure mode.|(See protection codes)
Flammable. Moderately dangerous fire risk.
Explosive limits , vol% in air: 0.7-7.1
Absorb on paper. Evaporate on a glass or an iron dish in hood. Burn the paper.
The worker should immediately wash the skin when it becomes contaminated.|Work clothing that becomes wet or significantly contaminated should be removed or replaced.|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.
/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Health: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Butyltoluenes/|/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Butyltoluenes/|/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. /Butyltoluenes/|/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Butyltoluenes/|For more DOT Emergency Guidelines (Complete) data for 4-T-BUTYLTOLUENE (8 total), please visit the HSDB record page.
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.
Irritation of eyes and respiratory tract.
Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 10 ppm (60 mg/cu m).|Vacated 1989 OSHA PEL TWA 10 ppm (60 ppm); STEL 20 ppm (120 mg/cu m) is still enforced in some states.
Recommended Exposure Limit: 10 Hr Time-Weighted avg: 10 ppm (60 mg/cu m)|Recommended Exposure Limit: 15 Min Short-Term Exposure Limit: 20 ppm (120 mg/cu m).
Personal protection: self-contained breathing apparatus. Do NOT let this chemical enter the environment. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Separated from food and feedstuffs and strong oxidants. Well closed. Keep in a well-ventilated room. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
The substance is irritating to the eyes and respiratory tract. Exposure far above the OEL could cause lowering of consciousness.
The substance may have effects on the central nervous system. This may result in tissue lesions.
NO open flames. Above 63 °C use a closed system and ventilation.
Use ventilation, local exhaust or breathing protection.
Protective gloves.
Wear safety spectacles or eye protection in combination with breathing protection.
Toxicity
moderately toxic
LC50 Rat inhalation 165 ppm/8 hr|LC50 Rat inhalation 248 ppm/4 hr|LC50 Rat inhalation 934 ppm/1 hr|LD50 Rabbit percutaneous 13.8 to 27.8 ml/kg
4-t-Butyltoluene is present in waste streams generated during its industrial manufacture(1); these waste streams could be a source of environmental release. 4-t-Butyltoluene's use as a solvent for resins(2) may result in its release to air through evaporation(SRC).
TERRESTRIAL FATE: Based upon estimated Koc values of 1700 and 1900, 4-t-butyltoluene will have low mobility in soil(1-2,SRC). A single biodegradation screening study suggests that 4-t-butyltoluene does not biodegrade easily(3). Evaporation from dry surfaces can be expected to occur(SRC).|AQUATIC FATE: Volatilization will be an important transport process for 4-t-butyltoluene in natural water. Volatilization half-lives (which exclude adsorption to sediment) of 3.6 and 43 hr can be estimated for a model river and model environmental pond, respectively(1-2,SRC); if adsorption is included in the pond simulation (Koc of 1900), the volatilization half-life increases to 13 days(2,SRC). A single biodegradation screening study suggests that 4-t-butyltoluene does not biodegrade easily(3). Aquatic hydrolysis is not an important fate process(SRC).|ATMOSPHERIC FATE: Based upon an extrapolated vapor pressure of 0.671 mm Hg at 25 °C(1), 4-t-butyltoluene is expected to exist almost entirely in the vapor-phase in the ambient atmosphere(2,SRC). The dominant degradation process in the atmosphere is the vapor-phase reaction with photochemically produced hydroxyl radicals which has an estimated half-life of 2.2 days(3,SRC).
The rate constant for the vapor-phase reaction of 4-t-butyltoluene with photochemically produced hydroxyl radicals has been estimated to be 7.15X10-12 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of about 2.2 days at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Alkanes and aromatic rings are generally resistant to aqueous environmental hydrolysis(2), therefore, 4-t-butyltoluene is not expected to hydrolyze in the environment. 4-t-Butyltoluene, in methanol solution, does not absorb UV light above 290 nm(3); therefore, direct photolysis is not expected to occur in the environment(SRC).
Based upon a reported water solubility of 5.5 ppm at 25 °C(1), the BCF for 4-t-butyltoluene can be estimated to be 236 from a recommended regression-derived equation(2,SRC). This estimated BCF indicates that some bioconcentration in aquatic organisms may occur(SRC).
Based upon a reported water solubility of 5.5 ppm at 25 °C(1), the Koc for 4-t-butyltoluene can be estimated to be 1700 from a linear regression-derived equation(2,SRC). Using a structure estimation method based on molecular connectivity indexes, the Koc for 4-t-butyltoluene can be estimated to be 1900(3). These estimated Koc values indicate that 4-t-butyltoluene will have low mobility in soil(4).
The Henry's Law constant for 4-t-butyltoluene can be estimated to be 0.01535 atm-cu m/mole using a structure estimation method(1,SRC). This value of Henry's Law constant indicates rapid volatilization from water(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 3.6 hours(2,SRC). The volatilization half-life from a model environmental pond can be estimated to be about 43 hours if the effect of adsorption to sediment is ignored(3,SRC); if the effect of adsorption to sediment is predicted from an estimated Koc of 1900(4,SRC), the estimated volatilization half-life from the pond increases to about 13 days(3,SRC).
DRINKING WATER: A t-butyltoluene (isomer unspecified) conc of 0.01 ug/L was detected in a drinking water sample collected from Philadelphia, PA(1).
Occupational exposure to 4-t-butyltoluene occurs through dermal contact and inhalation of vapor(1).
Drug Information
TBT IS ABSORBED INTO BLOOD BY INHALATION OF VAPOR & BY ORAL ADMIN OF LIQ. ... PROBABLE THAT OWING TO ITS LOW VAPOR PRESSURE ONLY SMALL AMT IS EXHALED UNCHANGED, MAJOR PART BEING METABOLIZED IN LIVER & EXCRETED AS WATER SOL METABOLITES IN URINE, AS CONJUGATES OF ALCOHOLS OR CARBOXYLIC ACIDS WITH GLUCURONIC ACIDS OR GLYCINE.|In mice exposed to 1000 ppm TBT, a substantial amount of the chemical was detected in the blood (2.1 ug/ml) 15 min after the start of inhalation and reached a plateau level (4.8-5.3 ug/ml) 4 hr after continous exposure. It can also be absorbed into blood following oral administration and skin application.|The excretion rate of radioactivity in the urine of rats given an intragastric dose (100 mg/kg) of (methyl-(14)C) TBT followed a biphasic curve; the half-life of the first phase was about 19 hr and that of the second phase was about 82 hr. This suggests that accumulation of TBT within the animal body could be expected following repeated exposures to the chemical.
Little information had been available on the metabolism of TBT until 1983, when an extensive study was conducted ... TBT /was administered/ to rats and guinea pigs intragastrically at a dose of 100 mg/kg and analyzed metabolites of TBT in glucuronidase-sulfatase-treated urine using gas chromatographic and mass spectrometric methods. In this study, p-tert-butylbenzoic acid and its alcohol derivative, 2-(p-carboxyphenyl)-2-methylpropan-1-ol, were identified as the major (17-22% of dose) urinary metabolites in rats, whereas p-tert-butylbenzoylglycine was found to be the most prominent metabolite (34% of dose) in guinea pigs. Minor metabolites (2-4% of dose) found in rat urine were 2-methyl-2-p-tolyl-propan-1-ol and p-tert-butylbenzoylglycine , while those in the guinea pig were p-tert-butylbenzoic acid, 2-methyl-2-p-tolylpropan-1-ol, and 2-methyl-2-p-tolylpropionic acid which was not detected at all in rats. Trace amounts (<0.5% of dose) of p-tert-butylbenzyl alcohol were found both in rat and guinea pig urine. 2-(p-Carboxyphenyl)-2-methylpropionic acid, a trace amount, was detected only in rat urine. Similar metabolism of TBT was also found when the chemical was given by inhalation. In this case, trace amounts of 2-(p-carboxyphenyl)-2- methylpropan-1-ol, which was not identified after intragastric administration, was detected in the urine of guinea pigs.
2.04 Days
Exposure Routes: inhalation, ingestion, skin and/or eye contact Symptoms: Irritation eyes, skin; dry nose, throat; headache; low blood pressure, tachycardia, abnormalities cardiovascular system stress; central nervous system, hematopoietic depression; metallic taste; liver, kidney injury Target Organs: Eyes, skin, respiratory system, cardiovascular system, central nervous system, bone marrow, liver, kidneys (NIOSH, 2016)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)|(See procedures)
Fresh air, rest. Half-upright position. Refer immediately for medical attention.
Rinse and then wash skin with water and soap.
Rinse with plenty of water for several minutes (remove contact lenses if easily possible).
Flush eyes with water. Wash off contaminated areas of body with soap and water. Gastric lavage (stomach wash), if swallowed, followed by saline catharsis.
In an industrial setting, a review of the health records of 33 workers exposed to 4-T-butyltoluene evaporated from a wash solution showed that 8 persons complained of nasal irritation, skin irritation, and symptoms referable to central nervous system such as nausea, malaise, headache, and weakness. Ten of the 33 workers experienced a cardiovascular syndrome characterized by decreased blood pressure and increased pulse rate. There were also some signs of adverse effects on hemopoietic system: leukopenia in 7; eosinophilia in 13; lowered hemoglobin in 8; erythropenia in 2; prolonged clotting time in 5; and an elevated icterus index in 2. None of the observations were considered to be serious and none persisted upon removal from exposure.|Sensory responses were studied for 12 volunteers who were exposed for 5 min to 4-T-butyltoluene concentrations varying from 5-160 ppm. Mild eye irritation was recognized by at least 1 subject at all concentrations and 2 cases of moderate eye irritation occurred at 80 ppm. Nasal mucosal irritation was the next frequent response which was recognized at concentrations above 10 ppm. Throat irritation was noted at concentrations above 60 ppm. Special responses, such as nausea and metallic taste, were also noted at concentration above 20 ppm. Except at the highest concentration, 160 ppm, there was no real discomfort on the part of any of the subjects. Only 1 subject complained of dizziness and decreased respiratory effort at 160 ppm.|Human volunteers recognized concentrations as low as 5 ppm but found 80 ppm not especially unpleasant. A low-grade transient intoxication was observed in some workers during pilot-scale production of p-TBT; nasal irritation, nausea, malaise, headache, and weakness were the specific complaints referable to TBT exposures. Objective findings were referable to the cardiovascular system, the central nervous system, and the skin. The cardiovascular syndrome was characterized by decreased blood pressure, increased pulse rate, and failure to respond to the Master's test, a 2-step cardiac performance test. Half of the exposed group showed tremor and anxiety, a quarter of the group showed evidence of chemical contact irritation of the respiratory tract.|Man: moderate eye irritation: 80 ppm/5 minutes|Moderately toxic by exposure and inhalation. Symptoms: weakness, tremor, irritation of eyes and respiratory tract; headache, vertigo (dizziness), nausea; malaise (feeling of illness).
4-tert-butyltoluene
The substance can be absorbed into the body by inhalation and by ingestion.|inhalation, ingestion, skin and/or eye contact
irritation eyes, skin; dry nose, throat; headache; low blood pressure, tachycardia, abnormal cardiovascular system stress; central nervous system, hematopoietic depression; metallic taste; liver, kidney injury
Cough. Sore throat. Metallic taste. Laboured breathing. Nausea. Dizziness. Headache. Tremor. Weakness.
Redness.
Redness. Pain.
Eyes, skin, respiratory system, cardiovascular system, central nervous system, bone marrow, liver, kidneys
4-tert-Butyltoluene Use and Manufacturing
The preparation method is that toluene is placed in a reaction kettle, a catalyst is added, and tert-butane chloride is added; after the reaction is completed, the product is separated by washing with water and the organic layer is distilled to obtain the product. It can also be alkylated by isobutylene and toluene in the presence of sulfuric acid to produce products
Used as an intermediate in organic synthesis
(1977) PROBABLY GREATER THAN 2.04X10+7 GRAMS|(1978) 3.18X10+9 GRAMS (CONSUMPTION)
CHEM INT FOR P-TERT-BUTYL BENZOIC ACID, 90%; OTHER USES, 10% (1978)
Grade: Technical
Benzene, 1-(1,1-dimethylethyl)-4-methyl-: ACTIVE
NIOSH Method 1501. Analyte: P-t-butyltoluene. Matrix: Air. Procedure: Gas chromatography, flame ionization detector. For p-t-butyltoluene this method has an estimated detection limit of 0.001 to 0.01 mg/sample. The overall precision/RSD is 0.021 and the recovery is not given. Applicability: The working range is 0.27 to 1.09 mg for a 44 liter air sample. Interferences: Under conditions of high humidity, volumes may be reduced by as much as 50%. Alcohols, ketones, ethers and halogenated hydrocarbons are possible interferences.
Fire Hazards -> Flammable - 2nd degree
Computed Properties
Molecular Weight:148.24
XLogP3:4.5
Rotatable Bond Count:1
Exact Mass:148.125200510
Monoisotopic Mass:148.125200510
Heavy Atom Count:11
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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