96-14-0CCC(C)CCPFEOZHBOMNWTJB-UHFFFAOYSA-N3-methylpentane is an alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black. It has a role as a non-polar solvent, an allelochemical and a human metabolite. It is a volatile organic compound and an alkane.
96-14-0DTXSID8052647CHEMBL357767CHEBI:88373log Kow = 3.60
3.6 (estimated)
2.8
0.66431 g/cu cm at 20 °C; 0.65976 g/cu cm at 25 °C
Liquid density = 664.31 kg/cu m at 20 °C
Relative density (water = 1): 0.66
0.65-0.66
0.69576 @25 °C
Sol in ethanol, carbon tetrachloride; miscible in ether, acetone, benzene, heptane
In water, 17.9 mg/L at 25 °C
Solubility in water: none
-6.6 °C
<20 °F (< -7 °C) (Closed cup)
-54 to 19 °F
63.271 °C
63.3 °C
572 °F
63.3 °C @760 [mm Hg]
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Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Chemical: Pentane, 3-methyl-
Pentane, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentane, 3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 3-methylpentane (EC: 202-481-4)
1,2,3-Trimethylpropane: Does not have an individual approval but may be used under an appropriate group standard
Environmental exposure to commercial hexane (n-hexane, 2-methylpentane, and 3-methylpentane) was tested in several work places in 5 shoe factories by taking 3 grab-air samples during the afternoon shift. Individual exposure ranges were 32-500 mg/cu m for n-hexane, 11-250 mg/cu m for 2-methylpentane and 10-204 mg/cu m 3-methylpentane. The metabolites of commercial hexane in the urine of 41 workers were measured at the end of the work shift. 2-Hexanol, 2,5-hexanedione, 2,5-dimethylfuran and gamma-valerolactone were found as n-hexane metabolites and 2-methyl-2-pentanol as 2-methylpentane and 3-methylpentane metabolites. The presence of metabolites in the urine was correlated more positively with 2-hexanol and 2,5-hexanedione than with 2,5-dimethylfuran and gamma-valerolactone. A good correlation was found between total n-hexane metabolites and n-hexane exposure. Urinary excretion of hexane metabolites may be used for monitoring occupational exposure to n-hexane and its isomers.
Urinary metabolites were tested in 41 shoe-factory workers exposed to a mixture of 10 solvents among which "commercial hexane" was the prevailing component. Cyclohexanol, 2-methyl-2-pentanol, 3-methyl-2-pentanol, and trichloroethanol were determined in connection with exposure to cyclohexane, 2-methylpentane, 3-methylpentane, and trichloroethylene, respectively. 2-Hexanol, 2,5-hexanedione, 2,5-dimethylfuran, and gamma-valerolactone were all determined in connection with n-hexane exposure only. 2,5-Hexanedione was the principal n-hexane metabolite found in the workers' urine. This finding of the experimentally proven neurotoxin 2,5-hexanedione in the urine of shoe-factory workers exposed to "commercial hexane" is consistent with the idea that this compound is responsible for the development of neuropathy in this group of individuals.
Hexane is mainly absorbed via inhalation, as it is readily absorbed by the lungs. It is distributed throughout the body in the blood, and metabolized by mixed function oxidases in the liver to a number of metabolites. The initial reaction is oxidation by cytochrome P-450 isozymes to hexanols, predominantly 2-hexanol. Further reactions convert 2-hexanol to 2-hexanone, 2,5-hexanediol, 5-hydroxy-2-hexanone, 4,5-dihydroxy-2-hexanone and the neurotoxicant 2,5-hexanedione. Hexane metabolites are excreted in the urine, while unchanged hexane is excreted in expired air. (L175)
... /3-Methylpentane/ can be absorbed into the body by inhalation of its vapor.
현재 필터 조건에 해당하는 반응 기록이 없습니다.
불러오는 중…
-162.9 °C
-118 °C
-245 to -148 °F
3.0 (AIR= 1)
Relative vapor density (air = 1): 2.97
190.0 [mmHg]
190 mm Hg at 25 °C
Vapor pressure, kPa at 20 °C: 20.5
1 mmHg
190 [mm Hg] @25 °C
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substances may be transported hot. /Hexanes/
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Hexanes/
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Hexanes/
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Hexanes/
For more DOT Emergency Guidelines (Complete) data for 3-METHYLPENTANE (8 total), please visit the HSDB record page.
1 - Materials that, under emergency conditions, can cause significant irritation.
3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.
0 - Materials that in themselves are normally stable, even under fire conditions.
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
Fresh air, rest.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give nothing to drink. Do NOT induce vomiting. Refer immediately for medical attention.
The vapor is heavier than air and may travel along the ground; distant ignition possible. As a result of flow, agitation, etc, electrostatic charges can be generated ... A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
Powder, aqueous film-forming foam (AFFF), foam, carbon dioxide ... keep drums, etc, cool by spraying with water.
WATER MAY BE INEFFECTIVE.
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.
Evacuate danger area! Consult an expert! Personal protection: filter respirator for organic gases and vapours of low boiling point adapted to the airborne concentration of the substance. Remove all ignition sources. Ventilation. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable non-plastic containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Wash away remainder with plenty of water. Then store and dispose of according to local regulations.
NO open flames, NO sparks, and NO smoking ... Closed system, ventilation, explosion-proof electrical equipment and lighting. Prevent build-up of electrostatic charges (eg, by grounding). Do NOT use compressed air for filling, discharging, or handling ... Do not eat, drink, or smoke during work.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
Remove contaminated clothes. Rinse and then wash skin with water and soap ... /For eyes:/ First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor.
3-Methylpentane was identified in 6 of the 12 samples of breath analyzed in Bayonne and Elizabeth, NJ as part of the USEPA Total Exposure Assessment Methodology (TEAM) study(1). It was also present in expired air from a control, prediabetic and diabetic population tested(2).
Hexane mainly affects the nervous system. It causes degeneration of the peripheral nervous system (and eventually the central nervous system), starting with damage to the nerve axons. Exposure to hexane may also damage the lungs and reproductive system. (L977, L978)
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2,200(SRC), determined from a log Kow of 3.60(2) and a regression-derived equation(3), indicates that 3-methylpentane is expected to have slight mobility in soil(SRC). Volatilization of 3-methylpentane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.7 atm-cu m/mole(SRC), derived from its vapor pressure, 190 mm Hg(4), and water solubility, 17.9 mg/L(5). 3-Methylpentane is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). However, adsorption to soil is expected to attenuate volatilization(SRC). 3-Methylpentane biodegraded 100% after 30 days using an activated sludge inoculum but following 27.4 days acclimation(6), indicating that biodegradation is expected to be an important fate process in soil(SRC). However, volatilization is expected to be the dominant fate process(SRC).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2,200(SRC), determined from a log Kow of 3.60(2) and a regression-derived equation(3), indicates that 3-methylpentane 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 1.7 atm-cu m/mole(SRC)derived from its vapor pressure, 190 mm Hg(4), and water solubility, 17.9 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 57 min and 3.7 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 11 days if adsorption is considered(6). According to a classification scheme(7), an estimated BCF of 320(SRC), from an estimated log Kow of 3.6(8) and a regression-derived equation(9), suggests the potential for bioconcentration in aquatic organisms is high(SRC). 3-Methylpentane biodegraded 100% after 30 days using an activated sludge inoculum but following 27.4 days acclimation(10), indicating that biodegradation is expected to be an important fate process in water(SRC). However, volatilization is expected to be the dominant fate process(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3-methylpentane, which has a vapor pressure of 190 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3-methylpentane 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 28 days(SRC), calculated from its rate constant of 5.7X10-12 cu cm/molecule-sec at 25 °C(3). 3-Methylpentane does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4).
The substance can be absorbed into the body by inhalation of its vapour.
Oral (L175) ;inhalation (L175) ;dermal (L175)
Hexane's toxicity is caused by it neurotoxic metabolite, 2,5-hexanedione. It damages the central and peripheral nervous system by causing axonal swelling and degeneration. 2,5-Hexanedione also reacts with lysine side-chain amino groups in axonal cytoskeletal proteins to form pyrroles. This results in neurofilament cross-linking and loss of function. (L175)
Cough. Headache. Dizziness. Unconsciousness.
Redness.
Redness. Pain.
Aspiration hazard! Abdominal pain. Nausea. Vomiting. Diarrhoea. Further see Inhalation.
Breathing large amounts of hexane causes numbness in the feet and hands, followed by muscle weakness in the feet and lower legs. Continued exposure may lead to paralysis of the arms and legs. However, if removed from the exposure, recovery occurs in 6 months to a year. Inhalation of high concentrations produces first a state of mild euphoria, followed by somnolence with headaches and nausea. (L175, A121)
In a comprehensive survey of wastewater from 4000 industrial and publicly owned treatment works (POTWs) sponsored by the Effluent Guidelines Division of the USEPA, 3-methylpentane was identified in discharges of the following industrial category (positive occurrences, median concn in ppb): petroleum refining (5; 27.7), organics and plastics (15; 74.4), inorganic chemicals (1; 112.6), plastics and synthetics (6; 64.1), rubber processing (1; 9.6), pharmaceuticals (2; 895.4), publicly owned treatment works (19; 2.2)(1). The highest effluent concn was 1769 ppb in the pharmaceuticals industry(1).
The 3-methylpentane content of gasoline-related substances in wt %: gasoline exhaust (noncatalyzed), 1.1%; gasoline exhaust (catalyzed), 1.3%; unburned gas, 2.1%; headspace vapors, 1.6%(1). The average exhaust in Sydney, Australia had a 3-methylpentane concn of 0.17 ppbC which was 1.6 wt% of NMHC(2). 3-Methylpentane constituted 2.5-3.1 wt% of non-methane hydrocarbons (NMHC) in a Swedish tunnel(3), 2.8 wt% in a tunnel in Budapest, Hungary(4).
Objectives: To investigate the possibilities of personal ambient monitoring and biological monitoring for methylpentane isomers. Methods: The performance of activated carbon cloth to absorb 2- and 3-methylpentane was studied by experimental vapor exposure followed by solvent extraction and gas chromatography. Urine from workers and rats exposed to 2- and 3-methylpentane was analysed by gas chromatography with or without acid or enzymatic hydrolysis. Results: Carbon cloth absorbed 2- and 3-methylpentane linearly to exposures up to eight hours and to 400 ppm, and was sensitive enough to detect a 15 minute peak of exposure. The two isomers were clearly separated from hexane on a DB-l column. For analysis of the urine, enzymatic hydrolysis was superior to acid hydrolysis. Exposure of rats to methylpentane vapors showed that 2-methyl-2-pentanol and 3-methyl-2-pentanol were excreted in urine in proportion to the dose of 2-methylpentane and 3-methylpentane, respectively. 2-Methyl derivatives of 1-, 3-, and 4-propanol, 2-methylpentane-2,4-diol, and 3-methyl-2-pentanol were minor metabolites. Analysis of urine from the exposed workers showed that 2-methyl and 3-methyl-2-pentanol are leading urinary metabolites after exposure to the corresponding methylpentane. Conclusions: Diffusive sampling is applicable to monitor 2- and 3-methylpentane vapors as is the case for hexane vapor. 2-Methyl-2-pentanol and 3-methyl-2-pentanol will be markers of occupational exposure to 2-methylpentane and 3-methylpentane, respectively. Also, 2-methylpentane-2,4-diol might be a marker of exposure to 2-methylpentane.
The knowledge of blood/air and human tissue/air partition coefficients is important in the understanding of the pharmacokinetics, body burden and physiopathological effects of these substances. This study reports these coefficients for certain solvents (n-pentane, 2,2-dimethylbutane, 2-methylpentane, 3-methylpentane, n-hexane, cyclohexane, methylcyclopentane, 3-methylhexane, and n-heptane). The tissues considered were the lung, heart, muscle, fat, brain, kidney, and liver collected from 2 cadavers with no histological abnormalities. Blood/air partition coefficients were significantly correlated with the tissue/air partition coefficients. The mean solubility of the 9 solvents was higher than in blood in all the tissues studied, with the factors ranging from 1.4 (lungs) to 205(fat).
The purpose of the present study was to see if chemically sensitive individuals had aliphatic hydrocarbon solvents as part of their total body load. This was done by measuring blood levels from 85 chemically sensitive patients These were measured by a purging trap method with gas chromatography/mass spectrometry by the methods of Laseter. Thirteen patients had blood levels below the detection limit of less than 1 ppb and 72 were above the detection limit. An average of three solvents, out of seven measured, including n-pentane, 2,2-dimethylbutane, cyclopentane, 2-methylpentane, 3-methylpentane, n-hexane, n-heptane, was found in 85% of the patients' blood on the 1 to 299 ppb range. The means were as follows: n-pentane 14.7 ppb, 2,2-dimethylbutane 2.5 ppb, cyclopentane 9.0 ppb, 2-methylpentane 16.7 ppb, 3-methylpentane 28.0 ppb, n-heptane 5.5 ppb. The most frequently found of the above solvents was 2-methylpentane (found in 68.1% of the patients), 3-methylpentane (62.5%), n-hexane (61.1%), and pentane (40.3%).
It has been demonstrated that 3-methylpentane distributes in human tissues in the same manner as pentane and hexane. In rats exposed to 1500 ppm isohexane for 14 weeks, 3-methyl-2-pentanol and 3-methyl-3-pentanol were detected in urine.
3-Methylpentane has been detected in the expired air of human subjects.
Used as a solvent and to make other organic chemicals; [Hawley] Used as solvent (vegetable oils, glues, coatings, and paints); Occur in gasoline, rubber solvent, and petroleum ether; [ACGIH]
Painting (Solvents) [Category: Paint]
Organic synthesis; solvent
The major use of saturated hydrocarbons is as a mixture, sometimes with unsaturated or aromatic compounds, as heating fuels, motor fuels and lubricants. Saturated hydrocarbons also serve as a raw material for the production of carbon black. /Saturated hydrocarbon/
Other than fuel, the largest volume application for hexanes is in extraction of oil from seeds. They also are useful as solvents and reaction media in the manufacture of polyolefins, synthetic rubbers, and some pharmaceuticals.
Pure hexane is used in laboratories. Most of the hexane used in industry is mixed with similar chemicals called solvents. The major use for solvents containing hexane is to extract vegetable oils from crops such as soybeans. These solvents are also used as cleaning agents in the printing, textile, furniture, and shoemaking industries. Certain kinds of special glues used in the roofing and shoe and leather industries also contain hexane. Several consumer products contain hexane, such as gasoline, quick-drying glues used in various hobbies, and rubber cement. (L175)
2023: 550,000,000 - <700,000,000 lb
Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5348]
3-Methylpentane is ... obtained from the fractionation of natural gas liquids, a refinery operation involving hydrogenation, and a stream meeting polymerization.
By far the largest amount of saturated hydrocarbons is obtained from the natural sources natural gas and petroleum, either by isolation or by suitable conversion reactions. /Saturated hydrocarbons/
Grade: Technical (95%); 99%; research.
Research grade, chromatographic grade.
Petroleum Refineries
Pentane, 3-methyl-: ACTIVE
Composition (% by weight) /of/ 3-methylpentane /in/ research, pure, and technical grade of n-hexane /are/ 0.02, 0.1 and 0.2, respectively.
... 3-Methylpentane/ occurs in petroleum and natural gas.
3-Methylpentane is a component of commercial hexane. Three typical commercial hexanes contained 9.38, 5.40, and 3.27% (vol) of 3-methylpentane. The three typical commercial hexanes are respectively derived from the fractionation of natural gas liquids, a refinery operation involving hydrogenation, a stream meeting polymerization-grade specifications.