Product
Supplier
Encyclopedia
Inquiry
Home > Encyclopedia > 3-Methylpentane

3-Methylpentane

3-Methylpentane structure

3-Methylpentane 

structure
  • CAS No:

    96-14-0

  • Formula:

    C6H14

  • Chemical Name:

    3-Methylpentane

  • Synonyms:

    Pentane,3-methyl-;3-Methylpentane;NSC 66497

  • Categories:

    Specialty Chemicals

Description

colourless liquid 3-Methylpentane, C6H14, is a colorless, flammable liquid with specific gravity 0.664. It occurs in petroleum and natural gas, and may be released to the environment in evaporative losses, wastewater, spills, and combustion exhaust.


Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|Clear liquids with mild, gasoline-like odors.


3-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 human metabolite, an allelochemical and a non-polar solvent. It is an alkane and a volatile organic compound.

3-Methylpentane Basic Attributes

86.18

86.18

1730734

202-481-4

XD8O3ML76T

1263

66497

1208

DTXSID8052647

Colorless liquid

2901100000

Characteristics

0

3.6 (estimated)

Clear colorless Liquid

0.65976 g/cm3 @ Temp: 25 °C

-118 °C

63.282 °C

20 °F

n20/D 1.376(lit.)

soluble in water. 0.013 g/L at20°C). Miscible in ether, acetone. soluble in ethanol.

Flammables area

135 mm Hg ( 17 °C)

2.97 (vs air)

Lower flammable limit: 1.2% by volume; Upper flammable limit: 7.0% by volume

~7.7%

5.70e-12 cm3/molecule*sec

Henry's Law constant = 1.68 atm-cu m/mol at 25 °C (est)

Triple point = -162.898 °C|Heat of fusion = -48.37 kcal/mol at 25 °C|Heat capacity at constant pressure = 33.49 cal/K-mol at 25 °C|Dielectric constant: 1.895|For more Other Experimental Properties (Complete) data for 3-METHYLPENTANE (6 total), please visit the HSDB record page.

532 °F (278 °C)|278 °C

-994.14 kcal/mol at 25 °C

Lower flammable limit: 1.2% by volume; Upper flammable limit: 7.0% by volume

The vapour 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.

7.236 kcal/mol at 25 °C

Critical temperature = 231.2 °C; Critical pressure = 2.34X10-5 mm Hg (3.12 MPa) /Table/

Safety Information

II

3

UN 1208 3/PG 2

2

11-36-51/53-65-67-38

16-23-33-61-62-29-9

SA2995500

F,Xn,N

Fireproof. Cooled. Separated from strong oxidants. Store in an area without drain or sewer access. Do NOT store or transport in containers made from plastic.

Stable. Highly flammable. Incompatible with strong oxidizing agents.

P210-P261-P273-P301 + P310-P331

H225-H304-H315-H336-H411

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.

Reacts violently with oxidants causing fire and explosion hazard. Attacks plastic.|...Can react vigorously with oxidizing materials.

Highly flammable. Vapour/air mixtures are explosive.

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 480 companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

... Breathing protection ... Protective gloves ... Safety spectacles ...

A very dangerous fire hazard when exposed to heat or flame...

Vapor/air mixtures are explosive.|Explosive limits , vol% in air: 1.2-7.0

Powder, aqueous film-forming foam (AFFF), foam, carbon dioxide ... keep drums, etc, cool by spraying with water.|WATER MAY BE INEFFECTIVE.

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.

Ventilation. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent and remove to safe place. Do NOT wash away into sewer.

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.

/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.

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.

Fireproof. Cooled. Separated from strong oxidants. Store in an area without drain or sewer access. Do NOT store or transport in containers made from plastic.

A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.

The substance and the vapour are mildly irritating to the eyes, respiratory tract and skin. If swallowed the substance easily enters the airways and could result in aspiration pneumonitis. The substance may cause effects on nervous system. This may result in lowering of consciousness.

The substance defats the skin, which may cause dryness or cracking. Repeated or prolonged contact with skin may cause dermatitis.

NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Prevent build-up of electrostatic charges (e.g., by grounding). Do NOT use compressed air for filling, discharging, or handling.

Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety goggles.

| 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.

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).

URBAN/SUBURBAN: 39 U.S. Cities between 1984-1986 (n=831) in ppbC: median 10.7, 25th percentile 6.4, 75th percentile 16.6 min 0.1, max 351(1). The mean concn of 3-methylpentane between 6 am and 9 am in 7 US cities: Houston TX, 15 ppbC; Philadelphia PA, 11 ppbC; Baltimore MD, 9 ppbC; Washington DC, 7 ppbC; Newark NJ, 9 ppbC; Boston MA, 8 ppbC; Milwaukee WI, 5 ppbC(2). In the Houston Photooxidant Study, a site downwind from industry and away from local sources was monitored in the summer of 1977; the results for 3-methylpentane (n=684) were 14 ppbC av, 118 ppbC, max(3). The site had a very high ozone concn(3). 3-Methylpentane was present in 50-85% of samples in the urban baseline VOC program in which measurements where made in Washington, DC for 1 year(4). The mean concn at 3 sites in Sydney, Australia over 10 months (n=140) was 1.6 ppb(5). The concn of 3-methylpentane at sites in Vienna, Austria were (site description (number of samples), concn (standard deviation)); urban - top of building 52 m (n=17), 8.0 (5.1) ppbC; urban street with traffic 1.5 m above ground (n=12), 16.1 (15.5) ppbC; suburbs (n=16), 4.5 (4.1) ppbC; local background site (n=9), 2.5 (3.8) ppbC(6). Bangkok, Thailand 15-20 ug/cu m in inner city, 8 ug/cu m at dump on edge of city, 1-2 ug/cu m in community on edge of city(7). Ambient air concns for 3-methylpentane in the National Ambient Volatile Organic Compounds data base (n = 867): mean 2.550 ppb, median 1.525 ppb, 25th percentile 0.845 ppb, 75th percentile 2.633 ppb(8). The median concn by type of site were (type, number of data points, concn): suburban, 220 1.567 ppb; urban, 534, 1.635 ppb(8). Monitoring studies conducted in May-July 1983 in northwest England at different types of sites (n=22) (type, mean, (standard deviation)): urban, 40.2 (20.8) ppbC(9).|URBAN/SUBURBAN: 3-Methylpentane was detected at concns ranging from 0.9-4.7 ppbV and averaging 2.3 ppbV from samples collected from Ancient Angora, Athens, Greece 4 m above ground between June 9-12 of 1993, May 6-7 and 9-10 and July 7-9, 11 of 1994(1). Other studies detecting 3-methylpentane from air samples in urban centers reported concns of 1.9 ppbV in Vienna, 1.6 ppbV in Sydney, 2.4 ppbV in Chicago, 3.1 ppbV in Osaka(1). 3-methylpentane was detected at an average concn of 1.9 ppbV from samples collected in the Shan-Hua, May-Nung, Ping-Tung, Chao-Chou areas of Taiwan during two 5 day periods in December 1998 and May 1999(2).|INDOOR AIR: The maximum indoor and outdoor concn of 3-methylpentane found in 300 Dutch homes was 101 ug/cu m and 3 ug/cu m, respectively(1).|INDOOR: An indoor air review concerning volatile organic compounds reported a weighted arithmetic geometric mean concn of 3-methylpentane in complaint buildings of 21 ug/cu m, 7 times higher than concns in other established buildings(1). The concns of 3-methylpentane inside 3 cars were determined during a suburban commute in NJ and during a commute from NJ into New York City(2). The mean and median concns in ug/cu m found were (trip, mean, median): suburban route-low ventilation (n=10), 4.0, 3.9; suburban route-high ventilation (n=7), 1.5, 2.2; NYC-turnpike commute (n=5), 18, 6.8; NYC-tunnel commute (n=5), 80, 5(2). The suburban route was 23 km with an average exposure time of 23 minutes and the NYC commute, made under low ventilation conditions, was 49 km and 45 minutes on the turnpike and 5 km and 33 minutes in the tunnel(2). The concns of 3-methylpentane in a car and train (n=8) during parallel commuter trips in Goeteborg, Sweden was 10.5 and 2.0 ug/cu m, respectively(3). Traffic emissions have been identified as a major source of 3-methylpentane detected in indoor air of office buildings in Greece(4).|For more Atmospheric Concentrations (Complete) data for 3-METHYLPENTANE (7 total), please visit the HSDB record page.

In a 1982 study, the composition of leaded, unleaded, and super unleaded gas was 4.5, 3.4, and 2.4% 3-methylpentane, respectively(1). The Auto/Oil program database reports that the industry average gasoline contains 2.422% 3-methylpentane(2). Composition profiles for 3-methylpentane acquired during the Southern California Air Quality Study in wt% include: commercial natural gas, 0.10; geogenic natural gas, 1.50; liquified petroleum gas, 0.00; diurnal evaporative emissions, 2.00; hot soak evaporative emissions, 2.59; running loss evaporative emissions, 1.30; summer gas, 2.03; winter gas, 1.77; summer gas headspace, 1.56; winter gas headspace, 1.49(3). The 3-methylpentane content (ppbC%) of sources from the 1990 Atlanta Ozone Precursor Monitoring Study were: whole gas (weighted avg all octanes), 1.79; whole gas 87 octane, 2.12; whole gas 89 octane, 1.57; whole gas 92/93 octane, 1.03; headspace gas 24 °C (all octanes), 1.93; headspace gas 32 °C (all octanes), 2.01(4).|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 3-methylpentane content (ppbC%) of sources from the 1990 Atlanta Ozone Precursor Monitoring Study were: whole gas (weighted avg all octanes), 1.79; whole gas 87 octane, 2.12; whole gas 89 octane, 1.57; whole gas 92/93 octane, 1.03; headspace gas 24 °C (all octanes), 1.93; headspace gas 32 °C (all octanes), 2.01(2). A similar study yielded 3-methylpentane emission profiles (wt%) in the Chicago area as: regular gas, 2.00; mid-grade gas, 1.33; premium gas 0.77; hot soak emissions, 2.25; cold start emissions, 2.33(3). 3-Methylpentane constituted 0.30 wt% and 2.4 wt% of NMHC in exhaust from mopeds using alkylate and standard reformate fuel, respectively(4). The respective compositions of these fuels were 0.30 and 2.5 wt%(6). The average exhaust in Sydney, Australia had a 3-methylpentane concn of 0.17 ppbC which was 1.6 wt% of NMHC(5).|3-Methylpentane is often found in glue used in shoe manufacturing; of the 43 glues analyzed, 48% contained 3-methylpentane(1). The percent of 3-methylpentane in the glues ranged from 1-35% with a mean and median of 12% and 14%, respectively(1). 3-Methylpentane was not used in the 22 solvents analyzed that were used as glue diluents.|AIR COMPOSITION PROFILES: The 3-methylpentane content (ppbC%) of vehicle-related air samples from the 1990 Atlanta Ozone Precursor Monitoring Study were: roadway (n=9), 1.418, airport (n=11), 0.96; aircraft (n=2), 0.550(1). The roadway samples were collected along a busy interstate during morning rush hour in August. Other roadway emission profiles for 3-methylpentane in wt% are: Chicago, 1.69(2); Lincoln Tunnel, 1.72(2,4); Atlanta roadway, 1.56(2); Caldecott Tunnel, San Francisco, CA (6/26-8/1991) 1.85%, mean(5). The Chicago profiles were taken on a confined parkway during rush hour traffic. 3-Methylpentane constituted 2.5-3.1 wt% of non-methane hydrocarbons (NMHC) in a Swedish tunnel(6), 2.8 wt% in a tunnel in Budapest, Hungary(7). Tunnel emission are composed of evaporative losses and exhaust(7). The ground level emissions 1 mi downwind from a refinery contained 0.88-1.48 wt%, mean 1.21 wt% 3-methylpentane(2). An earlier study reported 1.27-9.36 wt%, mean 3.42(3).

Toxicity

3-Methylpentane naturally occurs in petroleum and natural gas(1). It is also a plant volatile(1). From its Henry's Law constant and atmospheric concns over the ocean, oceans appear to be supersaturated with 3-methylpentane by 2-3 orders of magnitude indicating that they are a source of 3-methylpentane(2). However, oceans are a minor source of alkanes compared with continental production(2). None of the emission of 12 trees in Louisianna tested contained 3-methylpentane(4).

3-Methylpentane's production and use as a solvent, in organic synthesis(1), a raw material for carbon black, a fuel and lubricant (in mixture with other saturated hydrocarbons)(2), in the manufacture of polyolefins, synthetic rubbers, and some pharmaceuticals 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 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 rate constant for the vapor-phase reaction of 3-methylpentane with photochemically-produced hydroxyl radicals is 5.7X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 28 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). 3-Methylpentane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(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(3). The observed seasonal variation in year-long monitoring at four rural sites across Canada is consistent with increased photochemical destruction of 3-methylpentane during the summer(4).

An estimated BCF of 320 was calculated for 3-methylpentane(SRC), using a log Kow of 3.6(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(SRC), provided the compound is not metabolized by the organism(SRC).

The Koc of 3-methylpentane is estimated as 2,200(SRC), using a log Kow of 3.60(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-methylpentane is expected to have slight mobility in soil.

The Henry's Law constant for 3-methylpentane is estimated as 1.7 atm-cu m/mole(SRC) derived from its vapor pressure, 190 mm Hg(1), and water solubility, 17.9 mg/L(2). This Henry's Law constant indicates that 3-methylpentane 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 57 minutes(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 3.7 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 11 days if adsorption is considered(4). 3-Methylpentane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-methylpentane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).

DRINKING WATER: 3-Methylpentane was present in the one sample of tap water analyzed in New Jersey as part of the USEPA Total Exposure Assessment Methodology (TEAM) study(1).|SURFACE WATER: The concn of 3-methylpentane in surface water in the Indian Ocean (n=8) ranged from 0.09 to 2.15 nL/L(1). While the concn varied, the relative abundance of 3-methylpentane with respect to nonmethane hydrocarbons was practically constant(1).

3-Methylpentane has been identified as a volatile in beef(1) and tree-ripened nectarines(2).

Occupational exposure to 3-methylpentane may occur through inhalation and dermal contact with this compound at workplaces where 3-methylpentane is produced or used. Monitoring data indicate that the general population may be exposed to 3-methylpentane via inhalation of ambient air, and dermal contact with this compound and other consumer products if applicable products containing 3-methylpentane. (SRC)|Air concn were obtained for 55 components of gasoline measured by 8 petroleum companies for service stations attendants (n=49), transport drivers (n=49), and outside operators (n=56) during the summer of 1984(2). The results for 3-methylpentane were (job category, mean concn (standard deviation), percent positive): outside operator, 0.447 (0.672) mg/cu m, 84%; transport drivers, 1.104 (2.109) mg/cu m, 100%; service attendant, 1.244 (1.007) mg/cu m, 100%). 3-Methylpentane constituted 2.3, 2.4 and 1.8% of the total hydrocarbon concn for these three work groups. Exposure of service station attendants was significantly reduced when vapor recovery systems were present(2). In longterm personal samples for 3-methylpentane obtained at a high volume service station in eastern Pennsylvania (n=18) 3 samples were 0.1-0.3 ppm and 15 were <0.1 ppm(1). 3-Methylpentane is often found in glue used in shoe manufacturing; of the 43 glues analyzed, 48% contained 3-methylpentane(3). The percent of 3-methylpentane in the glues ranged from 1-35% with a mean and median of 12% and 14%, respectively(3). 3-Methylpentane was not used in the 22 solvents analyzed that were used as glue diluents(3). Traffic emissions have been identified as a major source of 3-methylpentane detected in indoor air of office buildings in Greece(4). 3-Methylpentane was identified in 5 of 8 samples in New Jersey analyzed as part of the USEPA Total Exposure Assessment Methodology (TEAM) study(5).

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).

Drug Information

... /3-Methylpentane/ can be absorbed into the body by inhalation of its vapor.|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.

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.

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.

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 necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema 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. Administer activated charcoal ... . Treat frostbite with rapid rewarming techniques ... ./Aliphatic hydrocarbons and related compounds/|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 ... . 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 (LR) 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 ... . /Aliphatic hydrocarbons and related compounds/

/EPIDEMIOLOGY STUDIES/ A high risk of spontaneous abortion was observed in women exposed to organic solvents during pregnancy. Since this risk was not found in the shoe industry, where these solvents are widely used, we carried out a case-control study on the risk of spontaneous abortion in a health district (Veneto, Northern Italy) where about 8,000 people work in shoe manufacturing. Aliphatic hydrocarbons were generally used; their concentrations were repeatedly below the mixture TLVs in the observation period. Methods: Cases (clinically recognized spontaneous abortion, ICD codes 632-634-636) and age-/year-/residence-matched controls (admitted for normal delivery) were traced in the files of the regional hospital discharges register. Data on 108 cases (81% response) and the same number of reference subjects were collected on questionnaires completed by nurses trained in occupational medicine. There were questions on confounding and occupational factors, and an open question to ensure a complete description of work done during pregnancy. An occupational physician, working blind, then coded exposure to organic solvents according to a three-level polytomous variable (no, low, high exposure). The cases/controls not exposed, exposed to low levels and exposed to high levels of organic solvents were 78/88, 12/12, and 18/8 respectively. Adjusted for the confounding factors, the relative risk (RR) of spontaneous abortion for high exposure to organic solvents during pregnancy was 3.85, with 95% confidence intervals (CI) ranging from 1.24 to 11.9. RR was 1.58 (CI = 0.62-4.06) in women exposed to low solvent concentrations. Our results support the hypothesis that spontaneous abortion may be an adverse effect of exposure to high levels of organic aliphatic solvents in women employed in shoe manufacture.|/BIOMONITORING/ Multiple chemical sensitivity (MCS), although poorly understood, is associated with considerable morbidity. AIM: To investigate potential biological mechanisms underlying MCS in a case-control study. Two hundred and twenty-three MCS cases and 194 controls (urban females, aged 30-64 years) fulfilled reproducible eligibility criteria with discriminant validity. Routine laboratory results and serum levels of volatile organic compounds (VOCs) were compared. Dose-response relationships, a criterion for causality, were examined linking exposures to likelihood of case status. Routine laboratory investigations revealed clinically unimportant case-control differences in means. Confounder-adjusted odds ratios (OR) showed MCS was negatively associated with lymphocyte count and total plasma homocysteine, positively associated with mean cell hemoglobin concentration, alanine aminotransferase and serum vitamin B6, and not associated with thyroid stimulating hormone, folate or serum vitamin B12. More cases than controls had detectable serum chloroform (P = 0.001) with the OR for detectability 2.78 (95% confidence interval = 1.73-4.48, P < 0.001). Chloroform levels were higher in cases. However, cases had significantly lower means of detectable serum levels of ethylbenzene, m&p-xylene, 3-methylpentane and hexane, and means of all serum levels of 1,3,5- and 1,2,3-trimethylbenzene, 2- and 3-methylpentane, and m&p-xylene. Our findings are inconsistent with proposals that MCS is associated with vitamin deficiency or thyroid dysfunction, but the association of lower lymphocyte counts with an increased likelihood of MCS is consistent with theories of immune dysfunction in MCS. Whether avoidance of exposures or different metabolic pathways in cases explain the observed lower VOC levels or the higher chloroform levels should be investigated.|/BIOMONITORING/ 3-Methyl-2-pentanol may be measured by GC in urine as a biomarker of occupational exposure to 3-methylpentane.|/BIOMONITORING/ Ten different solvents, viz., toluene, styrene, methylethyl ketone, acetone, dimethylformamide, cyclohexane, n-hexane, methylcyclopentane, 2-methylpentane, and 3-methylpentane were determined in environmental air and in the alveolar air of workers during the work shift. As regards all ten solvents studied, alveolar concentration (Ca) and the difference between environmental concentration (Ci) and alveolar concentration (Ci-Ca), were correlated with environmental concentration. According to the slopes of the regression lines, the ratio between alveolar and environmental concentration (Ca/Ci) and the alveolar retention ((Ci-Ca)/Ci) in the case of all ten solvents studied were complementary, i.e., their sum was equal to unity. The solvents with high solubility in blood, i.e., toluene, styrene, methylethyl ketone, acetone, and dimethylformamide showed a Ca/Ci ratio lower than 0.5 and the solvents with low solubility, i.e., cyclohexane, hexane, and their isomers showed a Ca/Ci ratio higher than 0.5. According to the findings which prove that the alveolar concentration of all solvents studied during the work shift is a function of variations in the environmental concentrations it seems reasonable to suggest the use of alveolar tests for monitoring environmental exposure to solvents during the work shift.

3-methylpentane

The substance can be absorbed into the body by inhalation of its vapour.

Cough. Headache. Dizziness. Unconsciousness.


Redness.


Redness. Pain.

3-Methylpentane Use and Manufacturing

Methods of Manufacturing

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/

Uses

3-Methylpentane is a component of three typical commercial hexanes, obtained from the fractionation of natural gas liquids, a refinery operation involving hydrogenation, and a stream meeting polymerization. Other than for fuel, it is used in extraction of oil from seeds and as a solvent and reaction medium in the manufacture of polyolefins, synthetic rubbers, and some pharmaceuticals. Organic synthesis, solvent.


Intermediates

Production

100,000,000 - 250,000,000 lb|Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5353]

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.

3-METHYLPENTANE WAS DETERMINED FROM AIR OF PLASTIC BAGS, WHICH CONTAINED HYDROCARBON EMISSON AIR SAMPLES, BY GAS CHROMATOGRAPHY. RECOVERIES WERE 91-104% FOR AIR SAMPLES TRANSPORTED IN PLASTIC BAGS.|A modified variant of the purge-and-trap gas chromatographic analysis of volatile organic carbon compounds in water was designed. Samples collected in 1-l glass bottles are purged at 60 C for 1 hr in an ultrapure helium gas stream using an open loop arrangement. Volatile eluates are trapped onto selective adsorbents packed inside stainless steel tubes connected in series. After stripping at a flow rate of 100 mg/min for 60 min, the adsorbent tubes are disconnected, fitted with analytical desorption caps and sequentially desorbed for 10 min on a thermal desorber. The desorbed organics are trapped at 30 C on a packed cold trap prior to flash volatilization of the volatiles across a fused silica transfer line onto a capillary column. The method separated over 200 organic compounds within 40 min using flame ionization and ion trap detection and is capable of quantitation down to 5 ng/l per component. The recoveries of 3-methylpentane from water at 30 and 60 C were 65 and 93%, respectively.|3-Methylpentane has been determined in air by headspace gas chromatography.

A headspace gas chromatography method has been used to measure the concentration of 3-methylpentane in human blood and tissues. A purge-and-trap method using GC-MS was employed to measure blood levels in humans. It has also been analyzed in breath samples by thermal desorption followed by high resolution GC-MS.

Computed Properties

Molecular Weight:86.18
XLogP3:3.2
Rotatable Bond Count:2
Exact Mass:86.109550447
Monoisotopic Mass:86.109550447
Heavy Atom Count:6
Complexity:19.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3-Methylpentane

Scan the QR Code to Share

Feedback & Suggestions
Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.