Neopentane
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Neopentane
structure -
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CAS No:
463-82-1
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Formula:
C5H12
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Chemical Name:
Neopentane
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Synonyms:
Propane,2,2-dimethyl-;2,2-Dimethylpropane;Neopentane;tert-Pentane;Tetramethylmethane;1,1,1-Trimethylethane
- Categories:
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CAS No:
Description
Colorless gas or very volatile liquid.Soluble in alcohol; insoluble in water. Neopentane is an extremely flammable gas and volatile liquid. 2,2-Dimethylpropane, C5H12, is a flammable liquid and is physically similar to butane. It is an important component of petroleum fuel mixtures.
May liquefy in cool or cold weather. Less dense than water. Insoluble in water but soluble in alcohol. Under prolonged exposure to fire or heat, the containers may rupture violently and rocket.|COLOURLESS COMPRESSED GAS WITH CHARACTERISTIC ODOUR.
May liquefy in cool or cold weather. Less dense than water. Insoluble in water but soluble in alcohol. Under prolonged exposure to fire or heat, the containers may rupture violently and rocket.|Neopentane is an alkane.
Neopentane Basic Attributes
72.15
72.15
207-343-7
M863R1J0BP
1773
2044
DTXSID6029179
Colorless gas or very volatile liquid
2901100000
Characteristics
0
3.11
May liquefy in cool or cold weather. Less dense than water. Insoluble in water but soluble in alcohol. Under prolonged exposure to fire or heat, the containers may rupture violently and rocket.
0.613 g/cm3 @ Temp: 0 °C
-16.6 °C
9.5 °C
less than 19.4 deg F
1.37
Solubility in water: none
Store and handle in accordance with all current regulations and standards. Subject to storage regulations: U.S. OSHA 29 CFR 1910.101. Grounding and bonding required. Keep separated from incompatible substances.
Vapour pressure, kPa at 20°C: 146
Relative vapour density (air = 1): 2.5
Inhalation-mouse LCL0: 1097 g/m3/2 hours; intraperitoneal-mouse LD50: 100 mg/kg
Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke
vol% in air: 1.3 7.5
Gasoline-like odor
8.49e-13 cm3/molecule*sec
Henry's Law constant = 2.173 atm-cu m/mole at 25 °C (est)
MP: -19.8 °C. Density: 0.613 at 0 °C/0 °C (liq)|Solidifies to form tetragonal crystals|Solidifies at -19.8 °C|Heat of fusion = 3.15 kJ/mol|Hydroxyl radical reaction rate constant = 8.25X10-13 cu cm/molec-sec at 25 °C
Highly flammable. Insoluble in water.
Hydrocarbons, Aliphatic Saturated
Highly Flammable
2,2-DIMETHYLPROPANE may be incompatible with strong oxidizing agents like nitric acid. Charring may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, mostly unreactive. Not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. Burns exothermically if heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents to produce carbon dioxide and water.
842 °F (450 °C)|450 °C
At 298 K: liquid = 3230 kJ/mol; gas = 3253 kJ/mol
Lower flammable limit: 1.4% by volume; Upper flammable limit: 7.5% by volume
The gas is heavier than air and may travel along the ground; distant ignition possible. The gas mixes well with air, explosive mixtures are easily formed.
22.75 kJ/mol
Critical pressure = 3.199 MPa; Critical temperature = 433.75 K
Safety Information
2.1
2044
12-51/53
9-16-33-61
F+,N
The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids
Explosive when mixed with air
P210, P273, P377, P381, P391, P403, P501
H220
Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number D001, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.|Incineration /SRP: with appropriate emission controls/.|Dispose in accordance with all applicable regulations. Subject to disposal regulations: U.S. EPA 40 CFR 262. Hazardous Waste Number(s): D001.
Reacts with strong oxidizers, causing fire and explosion hazard. Attaks some plastics, rubbers, and coatings.|... can react vigorously with oxidizing materials.
Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: EXTREMELY FLAMMABLE. Will be easily ignited by heat, sparks or flames. Will form explosive mixtures with air. Vapors from liquefied gas are initially heavier than air and spread along ground. CAUTION: Hydrogen (UN1049), Deuterium (UN1957), Hydrogen, refrigerated liquid (UN1966) and Methane (UN1971) are lighter than air and will rise. Hydrogen and Deuterium fires are difficult to detect since they burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may travel to source of ignition and flash back. Cylinders exposed to fire may vent and release flammable gas through pressure relief devices. Containers may explode when heated. Ruptured cylinders may rocket. (ERG, 2016)|Extremely flammable. Gas/air mixtures are explosive.|Flammable - 4th degree
|Danger|H220: Extremely flammable gas [Danger Flammable gases]|P210, P273, P377, P381, P391, P403, and P501|H220 (100%): Extremely flammable gas [Danger Flammable gases]|P210, P273, P377, P381, P391, P403, P410+P403, and P501|Aggregated GHS information provided by 162 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: As an immediate precautionary measure, isolate spill or leak area for at least 100 meters (330 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 800 meters (1/2 mile). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 1600 meters (1 mile) in all directions; also, consider initial evacuation for 1600 meters (1 mile) in all directions. In fires involving Liquefied Petroleum Gases (LPG) (UN1075); Butane, (UN1011); Butylene, (UN1012); Isobutylene, (UN1055); Propylene, (UN1077); Isobutane, (UN1969); and Propane, (UN1978), also refer to BLEVE - SAFETY PRECAUTIONS (ERG page 368). (ERG, 2016)
Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. If possible, turn leaking containers so that gas escapes rather than liquid. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Do not direct water at spill or source of leak. Prevent spreading of vapors through sewers, ventilation systems and confined areas. Isolate area until gas has dispersed. CAUTION: When in contact with refrigerated/cryogenic liquids, many materials become brittle and are likely to break without warning. (ERG, 2016)
Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. Always wear thermal protective clothing when handling refrigerated/cryogenic liquids. (ERG, 2016)|For the gas: Protective clothing is not required. For the liquid: Wear appropriate protective, cold insulating clothing. ... Wear insulated gloves.|For the gas: Eye protection not required, but recommended. For the liquid: Wear splash resistant safety goggles. Contact lenses should not be worn. Provide an emergency eye wash fountain and quick drench shower in the immediate work area.|Under conditions of frequent use or heavy exposure, respiratory protection may be needed. Respiratory protection is ranked in order from minimum to maximum. Consider warning properties before use. Any supplied-air respirator with a full facepiece that is operated in a pressure-demand or other positivepressure mode. Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. For Unknown Concentrations or Immediately Dangerous to Life or Health - Any supplied-air respirator with a full facepiece that is operated in a pressure-demand or other positivepressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressuredemand or other positive-pressure mode. Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode.
Both the gas and the liquid are flammable when exposed to heat or flame; can react vigorously with oxidizing materials.
lel: 1.4% uel: 7.5% /by volume/|Explosive limits , vol% in air: 1.3 - 7.5
FIRE FIGHTING: Move container from fire area if it can be done without risk. Cool containers with water spray until well after the fire is out. Stay away from the ends of tanks. For fires in cargo or storage area: Cool containers with water from unmanned hose holder or monitor nozzles until well after fire is out. If this is impossible then take the following precautions: Keep unnecessary people away, isolate hazard area and deny entry. Let the fire burn. Withdraw immediately in case of rising sound from venting safety device or any discoloration of tanks due to fire. For tank, rail car or tank truck: Stop leak if possible without personal risk. Let burn unless leak can be stopped immediately. For smaller tanks or cylinders, extinguish and isolate from other flammables. Evacuation radius: 800 meters (1/2 mile). Do not attempt to extinguish fire unless flow of material can be stopped first. Flood with fine water spray. Cool containers with water spray until well after the fire is out. Apply water from a protected location or from a safe distance. Avoid inhalation of material or combustion by-products. Stay upwind and keep out of low areas. Evacuate if fire gets out of control or containers are directly exposed to fire. Evacuation radius: 500 meters (1/3 mile). Consider downwind evacuation if material is leaking. Stop flow of gas.|EXTINGUISHING MEDIA: carbon dioxide, regular dry chemical. Large fires: Flood with fine water spray.|Do not extinguish the fire unless the flow of gas can be stopped and any remaining gas is out of the line. Specially trained personnel may use fog lines to cool exposures and let the fire burn itself out.|If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use "alcohol" foam, dry chemical or carbon dioxide. Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible.
FIRE AND EXPLOSION HAZARDS: Severe fire hazard. Severe explosion hazard. The vapor is heavier than air. Vapors or gases may ignite at distant ignition sources and flash back. Gas/air mixtures are explosive.
Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Establish forced ventilation to keep levels below explosive limit. Stop the flow of gas if it can be done safely. If source of leak is a cylinder and the leak cannot be stopped in place, remove leaking cylinder to a safe place in the open air, and repair leak or allow cylinder to empty. Keep this chemical out of a confined space ... because of the possibility of an explosion ... It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable.|Environmental considerations -land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.|Environmental considerations - water spill: Use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hose.|Environmental considerations -air spill: Apply water spray or mist to knock down vapors.
ACCIDENTAL ... OCCUPATIONAL RELEASE: Avoid heat, flames, sparks and other sources of ignition. Do not touch spilled material. Stop leak if possible without personal risk. Reduce vapors with water spray. Keep unnecessary people away, isolate hazard area and deny entry. Remove sources of ignition. Ventilate closed spaces before entering.|If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.|Personnel protection: Keep upwind. Approach fire with caution.|Evacuation: If fire becomes uncontrollable or container is exposed to direct flame - consider evacuation of one-half (1/2) mile radius. If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.
/GUIDE 115: GASES - FLAMMABLE (Including Refrigerated Liquids)/ Fire or Explosion: EXTREMELY FLAMMABLE. Will be easily ignited by heat, sparks or flames. Will form explosive mixtures with air. Vapors from liquefied gas are initially heavier than air and spread along ground. CAUTION: Hydrogen (UN1049), Deuterium (UN1957), Hydrogen, refrigerated liquid (UN1966) and Methane (UN1971) are lighter than air and will rise. Hydrogen and Deuterium fires are difficult to detect since they burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may travel to source of ignition and flash back. Cylinders exposed to fire may vent and release flammable gas through pressure relief devices. Containers may explode when heated. Ruptured cylinders may rocket.|/GUIDE 115: GASES - FLAMMABLE (Including Refrigerated Liquids)/ Health: Vapors may cause dizziness or asphyxiation without warning. Some may be irritating if inhaled at high concentrations. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire may produce irritating and/or toxic gases.|/GUIDE 115: GASES - FLAMMABLE (Including Refrigerated Liquids)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 100 meters (330 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Many gases are heavier than air and will spread along ground and collect in low or confined areas (sewers, basements, tanks). Keep out of low areas.|/GUIDE 115: GASES - FLAMMABLE (Including Refrigerated Liquids)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. Always wear thermal protective clothing when handling refrigerated/cryogenic liquids.|For more DOT Emergency Guidelines (Complete) data for 2,2-DIMETHYLPROPANE (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.
Exposure can cause skin irritation ...
Evacuate danger area! Remove all ignition sources. Consult an expert! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Shut off cylinder if possible. Isolate the area until the gas has dispersed. Remove gas with fine water spray.
Fireproof. Cool.
On loss of containment, a harmful concentration of this gas in the air will be reached very quickly, especially in confined spaces.
Inhalation of high concentrations of the gas may cause depression of the central nervous system. Rapid evaporation of the liquid may cause frostbite.
NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting.
Use ventilation, local exhaust or breathing protection.
Cold-insulating gloves.
Wear safety goggles or eye protection in combination with breathing protection.
| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 4 - Materials that rapidly or completely vaporize at atmospheric pressure and normal ambient temperature or that are readily dispersed in air and burn readily.| 0 - Materials that in themselves are normally stable, even under fire conditions.
D001; A waste containing neopentane may (or may not) be characterized as a hazardous waste following testing for ignitability characteristics as prescribed by the Resource Conservation and Recovery Act (RCRA) regulations.
D001; A solid waste containing neopentane may become characterized as a hazardous waste when subjected to testing for ignitability as stipulated in 40 CFR 261.21, and if so characterized, must be managed as a hazardous waste.
2,2-Dimethylpropane is a hydrocarbon specie of industry average gasoline and EPA certification gasoline at 0.034 and 0.067%, respectively(1). Analyses of these fuel emissions reveal that cold start exhaust emissions from gasoline-burning engines contained 2,2-dimethylpropane at a relative amount of 0.06% of the total composition of the emission(1). 2,2-Dimethylpropane was not detected in either hot stab or hot start emissions(1). 2,2-Dimethylpropane was detected in both diurnal and running losses type evaporative emissions at 0.04% and 0.19%, respectively, of the total composition of the emission but was not detected in hot soak evaporative emissions(1). The amount of 2,2-dimethylpropane in gasoline exhaust was estimated as 26.5 ug/L based on fuel-composition of samples taken across California in 2010(2). 2,2-Dimethylpropane was not detected in the emissions from 6 small off-road engines (2- and 4- stroke, manufactured 2002-2006) or from a 1998 diesel fueled transport refrigeration unit(3).|Using 16 different combinations of fuel (honeycomb coal briquette, coal briquette, washed and unprocessed coal powder, wood, wheat, maize, kerosene, liquid propane gas, coal gas, natural gas) and stoves (metal with and without flue, brick, kerosene wick, traditional liquid propane, traditional gas), 2,2-dimethylpropane was only detected in the emissions from liquid propane gas stove at 1.62 mg/kg of fuel used(1).
URBAN/SUBURBAN: 2,2-Dimethylpropane was not detected in 32 urban air samples collected Sept 8-9, 1993 in southern California(1). 2,2-Dimethylpropane was detected in air samples collected in an urban area in Lancaster, NW England, at 58.8 ppbC (arithmetic mean)(2). 2,2-Dimethylpropane was detected in the air of Taipei, Taiwan during a monitoring study which took place on January 29, 1997. From the 50 samples collected in open fields, away from point sources, the average concentration of 2,2-dimethylpropane was 0.7 ppbV, with a range of 0.0-8.5 ppbV(3). 2,2-Dimethylpropane was not detected (detection limit 0.1 ppbV) in 48 ambient air samples taken Mar 20, 1996 to Apr 16, 1997 in the city of Porto Alegre, Brazil(4).|RURAL/REMOTE: 2,2-Dimethylpropane was detected in air samples collected at a rural site on days when the air was not affected by pollution and at the same site when it was affected by pollution (air had passed over urban areas, favorable conditions for ozone formation, and the ozone concentration was higher than background) in NW England at concentrations of 1.5 and 6.2 ppbC, respectively (arithmatic mean)(1). 2,2-Dimethylpropane was positively detected in spruce forest air samples collected in the Eggegebirge in North Rhine-Westfalia, West Germany in 1988 at unreported concentrations(2). 2,2-Dimethylpropane was reported at concentrations of <5 part per trillion at two rural sites in southern Norway in 1985(3). Concentrations of 2,2-dimethylpropane in air samples collected in the Auch region of southwest France, in 1986, from heights of 0, 270, 460, 750, 990, and 1,300 m were 0.01-0.25, 0.003, 0.003, 0.004, 0.003, 0.002 part per trillion volume, respectively(4). A second experiment two months later reported concentrations of 2,2-dimethylpropane at heights of 0, 180, 510, 1160, 1950, and 2,900 m which ranged from 0.001 to 0.006 part per trillion volume(4). Air samples collected from Egbert, Ontario in April 1990 contained 2,2-dimethylpropane at 0.010 ppbV(5).
Toxicity
practically nontoxic
IDENTIFICATION AND USE: Dimethylpropane is a colorless flammable gas or a volatile liquid. It is used as a research chemical and in the manufacture of butyl rubber. HUMAN EXPOSURE AND TOXICITY: Drinking of dimethylpropane is expected to cause nausea, vomiting, stomach pain, and diarrhea. Dimethylpropane is expected to be a potential aspiration hazard when swallowed because of its low surface tension and low viscosity. Once in the respiratory system, it can lead to spasms of the bronchial system, edema and hemorrhaging, chemical pneumonitis, asphyxia, or death. Signs and symptoms include coughing, choking, and gasping. Dimethylpropane vapor is nontoxic when inhaled except at very high concentrations exceeding the lower flammability limit. When large quantities are inhaled, dimethylpropane acts as an anesthetic and asphyxiant. At these high levels it will cause CNS depression such as drowsiness, anesthesia, and at higher concentrations, coma and death. Repeated or prolonged contact with skin may cause dermatitis. No further studies on human exposure or toxicity could be located. ANIMAL STUDIES: Dimethylpropane caused light anesthesia in mice exposed to 200,000 ppm for 30 min and anesthesia (loss of posture) at 270,000 ppm for 3 min exposure. Dimethylpropane was lethal to 40% of the mice exposed for 2 hr at a concentration of 340,000 ppm. After 2 hr of anesthesia, the surviving mice recovered quickly on average in 4 min. Dimethylpropane is hydroxylated by rat liver microsomes to its parent alcohol 2,2-dimethylpropanol. No other animal studies could be located.
The inducing effect of phenobarbital on the hydroxylation activity of rat liver microsomes was investigated. The time course of the hydroxylation reaction was measured separately for the various isomeric alcohols examined. The effect of aliphatic substrates on the difference spectra of microsomes from untreated control and phenobarbital induced rats was examined. The amount of cytochrome-P-450 formed was measured spectroscopically. Linearity of the yields of the alcohols examined with the microsomal protein concentrations and with time was observed up to 2 milligrams per milliliter and this concentration of microsomal protein was used in the assays. During microsomal hydroxylation the isomeric alcohols were formed by identical non linear kinetics in both pretreated and uninduced microsomes. Induction by phenobarbital caused a 4 to 5 fold increase in specific activity for all substrates: n-pentane , 2-methylbutane, 2,2-dimethylpropane , n-butane , isobutane, and methylcyclohexane. The specific activities for all substrates were in the same order of magnitude. For all aliphatic substrates phenobarbital induction increased the specific activity parallel to the shift in the oxidized cytochrome-P-450 spectrum. This was measured by the difference spectrum showing a peak at 388 nanometers and a trough at 420 nanometers after addition of the substrate to the microsomal suspension. In general, phenobarbital pretreatment produced a 4 to 5 fold increase in the substrate binding difference spectrum. The authors conclude that these aliphatic substrates are hydroxylated by the same cytochrome-P-450 species. Results are consistent with the hypothesis that cytochrome-P-450 forms a reversible enzyme/substrate complex which is reduced in the rate limiting step of the hydroxylation sequence.
LD50 Mouse ip 100 mg/kg|LC40 Mouse inhalation 340,000 ppm/2 hr
2,2-Dimethylpropane is a component of petroleum raw materials, natural gas, and crude oil(1).
2,2-Dimethylpropane's production and use as a research chemical in the production of butyl rubber(1) may result in its release to the environment through various waste streams(SRC). Its presence in gasoline may result in its direct release to the environment, especially from engine emissions(2)|... occurs at 0.07 vol% in naphtha
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 500(SRC), determined from a structure estimation method(2), indicates that 2,2-dimethylpropane is expected to have moderate mobility in soil(SRC). Volatilization of 2,2-dimethylpropane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.2 atm-cu m/mole(SRC), based upon its vapor pressure, 1290 mm Hg(3), and water solubility, 33.2 mg/L(4). 2,2-Dimethylpropane is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). The highly branched structure of 2,2-dimethylpropane suggests that biodegradation in soil will be slow(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 500(SRC), determined from a structure estimation method(2), indicates that 2,2-dimethylpropane 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 2.2 atm-cu m/mole(SRC), derived from its vapor pressure, 1290 mm Hg(4), and water solubility, 33.2 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 2.5 hours and 3.4 days, respectively(SRC). 2,2-Dimethylpropane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). According to a classification scheme(6), an estimated BCF of 52(SRC), from its log Kow of 3.11(7) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). The highly branched structure of 2,2-dimethylpropane suggests that biodegradation in water will be slow(8).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2,2-dimethylpropane, which has a vapor pressure of 1290 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase 2,2-dimethylpropane 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 19 days(SRC), calculated from its rate constant of 8.25X10-13 cu cm/molecule-sec at 25 °C(3). 2,2-Dimethylpropane does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
The rate constant for the vapor-phase reaction of 2,2-dimethylpropane with photochemically-produced hydroxyl radicals has been reported as 8.25X10-13 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 19 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). 2,2-Dimethylpropane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). 2,2-Dimethylpropane does not contain chromophores that absorb at wavelengths >290 nm(3) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
An estimated BCF of 52 was calculated in fish for 2,2-dimethylpropane(SRC), using a log Kow of 3.11(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,2-dimethylpropane can be estimated to be 500(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,2-dimethylpropane is expected to have moderate mobility in soil.
The Henry's Law constant for 2,2-dimethylpropane is estimated as 2.2 atm-cu m/mole(SRC) derived from its vapor pressure, 1290 mm Hg(1), and water solubility, 33.2 mg/L(2). This Henry's Law constant indicates that 2,2-dimethylpropane 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 2.5 hours(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 3.4 days(SRC). 2,2-Dimethylpropane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 2,2-dimethylpropane from dry soil surfaces may exist based upon its vapor pressure(1).
SURFACE WATER: 2,2-Dimethylpropane was detected in 1 of 204 water samples collected at 204 sites across the continental United States, at an unreported concentration(1).
2,2-Dimethylpropane was detected, not quantified, in a mixture of volatile compounds from chicken meat(1).
Occupational exposure to 2,2-dimethylpropane may occur through inhalation and dermal contact with this compound at workplaces where 2,2-dimethylpropane is produced or used. Monitoring data indicate that the general population may be exposed to 2,2-dimethylpropane via inhalation of ambient air and possibly from cooked food. (SRC)
Drug Information
Routes of Entry: Inhalation, ingestion; skin and/or eye contact.|Studies were done on the pulmonary absorption of inhaled vapors of 20 gasoline-related hydrocarbon vapors, including neopentane. Male F344 rats were exposed to 1000 to 5000 ppm vapors of neopentane for 80 to 100 min. The uptake for neopentane was 5.4%. Highly volatile and branched hydrocarbons were less well absorbed than less volatile and unbranched hydrocarbons; unsaturated compounds were better absorbed than saturated ones. Less absorption could be the reason for the reduced toxicity seen with increased branching.
2,2-Dimethylpropane was hydroxylated by rat liver microsomes to its parent alcohol 2,2-dimethylpropanol.
Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: Vapors may cause dizziness or asphyxiation without warning. Some may be irritating if inhaled at high concentrations. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire may produce irritating and/or toxic gases. (ERG, 2016)
Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. Clothing frozen to the skin should be thawed before being removed. In case of contact with liquefied gas, thaw frosted parts with lukewarm water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim calm and warm. (ERG, 2016)
Fresh air, rest. Refer for medical attention.
First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again.
Rinse with plenty of water (remove contact lenses if easily possible). Refer for medical attention.
Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aliphatic hydrocarbons and related compounds/|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/
/SIGNS AND SYMPTOMS/ Light petroleum distillates are lipid soluble and can cause skin irritation. Short-term contact may result in mild skin irritation, whereas repeated and prolonged exposure may cause severe dermatitis. Prolonged contact with large quantities may cause burns. This is the result of the defatting properties of lipid-soluble light petroleum distillates. /Light petroleum distillates/|/SIGNS AND SYMPTOMS/ Drinking of neopentane is expected to cause nausea, vomiting, stomach pain, and diarrhea. Neopentane is expected to be a potential aspiration hazard when swallowed because of its low surface tension and low viscosity. Once in the respiratory system, it can lead to spasms of the bronchial system, edema and hemorrhaging, chemical pneumonitis, asphyxia, or death. Signs and symptoms include coughing, choking, and gasping. ...Neopentane vapor when inhaled is nontoxic except at very high concentrations exceeding the lower flammability limit. When large quantities are inhaled, neopentane acts as an anesthetic and asphyxiant, which is typical of most light aliphatic petroleum hydrocarbons. At these high levels n-alkanes will cause CNS depression such as drowsiness, anesthesia, and at higher concentrations, coma and death.|/SIGNS AND SYMPTOMS/ Short Term Exposure: Exposure can cause skin irritation and severe burns with redness, itching. May affect the CNS. Skin contact with the undiluted material for 5 hrs causes blisters; for one hour it causes irritation, itching, erythema, pigmentation, swelling, burning and pain. Skin contact can cause frostbite. Inhalation can cause headache, dizziness, and suffocation. The toxicity is via the inhalation route. It is /a CNS depressant/ in high concentrations. Ingesting the liquid may cause chemical pneumonia (aspiration).|/SIGNS AND SYMPTOMS/ Long term Exposure: Repeated or prolonged contact with skin may cause dermatitis.
neopentane
Dizziness. Drowsiness. Headache.
ON CONTACT WITH LIQUID: FROSTBITE.
ON CONTACT WITH LIQUID: FROSTBITE.
Neopentane Use and Manufacturing
PETROLEUM REFINING OPERATIONS BY CATALYTIC CRACKING, THERMAL CRACKING, HYDROCRACKING, AND CATALYTIC REFORMING|Prepared from tert-butyl iodide and dimethylzinc; ... from butylmagnesium iodide and dimethyl sulfate in ether; ... from amylene vapor and hydrogen in presence of an electric discharge; ... passing pentanes over aluminum chloride at 140 °C; ... from neopentylmagnesium chloride and water.
2,2-Dimethylpropane is manufactured by petroleum refining operations. It is used as a chemical intermediate for agricultural chemicals, and as a component of high-octane motor and aviation fuels. Research, butyl rubber.
2,2-Dimethylpropane is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).|Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#349]|Non-confidential 2014 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Propane, 2,2-dimethyl-. National Production Volume: 138,616 lb/yr.
Grades: technical 95%, pure 99%, research 99.9%.
Propane, 2,2-dimethyl-: ACTIVE|Found in petroleum naphtha.|Industry average gasoline, EPA certification gasoline, and M-85 (85% methanol, 15% gasoline) contain neopentane at a relative amount of 0.034%, 0.073%, and 0%, respectively, of the total composition of the fuel.
Determination in Air: Charcoal tube; CS2; Gas chromatography/Flame ionization detection; NIOSH Analytical Method (IV) #1500, Hydrocarbons.
Fire Hazards -> Flammable - 4th degree
Computed Properties
Molecular Weight:72.15
XLogP3:2.5
Exact Mass:72.093900383
Monoisotopic Mass:72.093900383
Heavy Atom Count:5
Complexity:15.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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