1,3-Pentadiene

68.12

68.12

217-909-5

00OA1GPF8R

1722

73901

1993|3295|1010

DTXSID3027160|DTXSID50858710

Colorless liquid

0

1.5 (estimated)

1,3-pentadiene appears as a clear colorless liquid with an acrid odor. A dangerous fire risk. Vapors are irritating to the eyes and respiratory system. Subject to polymerization if heated or contaminated. If the polymerization takes place inside a container, the container may violently rupture. Insoluble in water. Used to make intermediates and polymers.

0.6760 g/cm³ @ Temp: 20 °C

41-43 °C

42 °C

<−30 °F

1.415

Solubility in water, g/100ml: 0.069 (very poor)

Refrigerator

6.56 psi ( 20 °C)

2.4 (vs air)

Inhalation-rat LC50: 140 g/m3/2 hours; inhalation-mouse LC50: 1100 mg/m3/2 hours

Combustible by heat, open flame, strong oxidants; burning produces irritating fumes

vol% in air: 2.0 8.3

1.03e-10 cm3/molecule*sec

Freezing point: -141 °C; bp: -44 °C; index of refraction: 1.43634 @ 20 °C/D; soluble in alcohol and ether. /cis/|MAX ABSORPTION (ALCOHOL): 223.5 NM (LOG E= 4.36); INDEX OF REFRACTION: 1.4301 @ 20 °C/D; DENSITY: 0.6760 @ 20 °C/4 °C; MP: -87.5 °C; BP: 42 °C @ 760 MM HG /TRANS/|Hydroxyl radical rate constant= 1.01X10-10 cu cm/molec-sec @ 24 °C /cis-isomer/|Hydroxyl radical rate constant= 1.03X10-10 cu cm/molec-sec @ 27 °C /cis-isomer/|Soluble in alcohol, ether, acetone, and benzene /cis-1,3-Pentadiene/

Highly flammable. Insoluble in water.

Conjugated Dienes

Highly Flammable

1,3-PENTADIENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions. May undergo autoxidation upon exposure to the air to form explosive peroxides. Violent explosions at low temperatures in ammonia synthesis units have been traced to the addition products of dienes and nitrogen dioxide [Bretherick, 5th Ed., 1995].

The vapour is heavier than air and may travel along the ground; distant ignition possible.

I

3.1

UN 3295 3/PG 2

3

11-65

16-23-26-36-62-24/25

RZ2465000

F,Xn

The warehouse is ventilated, low temperature and dry; lightly loaded and unloaded, stored separately from oxidants and acids

Stable. Incompatible with strong oxidizing agents. Very flammable - note low flash point and low boiling point.

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, P501

H225

Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U186, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.|A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 °C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 °C and residence times of seconds for liquids and gases, and longer for solids.|SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Can react vigorously with oxidizing materials.

Special Hazards of Combustion Products: Fire produces irritating and poisonous gases. Behavior in Fire: Will burn and produce irritating and poisonous gases. Container may explode in heat of fire. Vapor explosion hazard indoors, outdoors, or in sewers. Runoff to sewer may create fire or explosion hazard. (USCG, 1999)|Highly flammable. Vapour/air mixtures are explosive. Heating will cause rise in pressure with risk of bursting.|Flammable - 3rd degree, Reactive - 2nd degree

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 69 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, and P501

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: 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. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)

HIGHLY FLAMMABLE, DANGEROUS FIRE RISK.|A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials.

Lower explosive limit: 2%; Upper explosive limit: 8.3%|A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials.|Explosive limits , vol% in air: 2.0 - 8.3

WATER MAY BE EFFECTIVE.

Remove all ignition sources. Evacuate danger area! Consult an expert! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Separated from strong oxidants. Fireproof. Store in an area without drain or sewer access. Ventilation along the floor.

A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.

The vapour is irritating to the eyes and skin. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis. The effects may be delayed.

NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Do NOT use compressed air for filling, discharging, or handling. Use non-sparking handtools.

PREVENT GENERATION OF MISTS!

Use ventilation.

Protective gloves.

Wear safety spectacles.

| 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.| 4 - Materials that rapidly or completely vaporize at atmospheric pressure and normal ambient temperature or that are readily dispersed in air and burn readily.| 2 - Materials that readily undergo violent chemical changes at elevated temperatures and pressures.|W - No water: Materials that react violently or explosively with water.

U186; A toxic waste when a discarded commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or manufacturing chemical intermediate.

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 100 lb or 45.4 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

U186; As stipulated in 40 CFR 261.33, when 1,3-pentadiene, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5).

1,3-Pentadiene was identified, not quantified, as a stack emission from waste incinerators(1). 1,3-Pentadiene has been identified, not quantified, in the exhaust of gasoline and diesel engines(2). 1,3-Pentadiene was detected in the exhaust of a single component fuel at a concn of 0.66 ppm(3). 1,3-Pentadiene was identified, not quantified, in the volatile emissions of garden waste(4).|trans-1,3-Pentadiene has been qualitatively detected in the exhaust of gasoline and diesel engines(1).

moderately toxic

LD50 Mouse iv 18 mg/kg

1,3-Pentadiene may be released to the atmosphere during the combustion of biomass during fires caused by lightning, volcanoes, or other natural phenomena(1).|trans-1,3-Pentadiene may be released to the atmosphere during the combustion of biomass during fires caused by lightning, volcanoes, or other natural phenomena(1).

1,3-Pentadiene's production and use as a co-monomer in the manufacture of polymers, maleic anhydride and as a chemical intermediate(1) may result in its release to the environment through various waste streams(SRC). It may also be released to the environment from waste incinerators and in the exhaust of motor vehicles(2,3).|trans-1,3-Pentadiene's production and use in polymers, maleic anhydride adducts, and as an intermediate(1) may result in its release to the environment through various waste streams(SRC). trans-1,3-Pentadiene may also be released to the atmosphere in the exhaust of motor vehicles(2).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 500(SRC), determined from a log Kow of 2.44(2) and a regression-derived equation(3), indicates that 1,3-pentadiene is expected to have low mobility in soil(SRC). Volatilization of 1,3-pentadiene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.069 atm-cu m/mole(SRC), using a fragment constant estimation method(4). The potential for volatilization of 1,3-pentadiene from dry soil surfaces may exist based upon a vapor pressure of 405 mm Hg(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 500(SRC), determined from a log Kow of 2.44(2) and a regression-derived equation(3), indicates that 1,3-pentadiene is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected to be an important fate process(3) based upon an estimated Henry's Law constant of 0.069 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1 and 78 hrs, respectively(SRC). According to a classification scheme(5), an estimated BCF of 15(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low. No biodegradation data were located for 1,3-pentadiene(SRC), but the biodegradation half-life of 1,3-butadiene has been reported as 7 days in aerobic water and 28 days in anaerobic water(7). These data suggest that 1,3-pentadiene will also be biodegraded in aquatic systems(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,3-pentadiene, which has a vapor pressure of 405 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,3-pentadiene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone molecules(SRC). The half-life for the reaction in air with hydroxyl radicals is estimated to be 3.7 hours(SRC), calculated from its rate constant of 1.01X10-10 cu cm/molecule-sec at 24 °C(3). The half-life for the reaction in air with ozone is estimated to be 5 hours(SRC), calculated from its rate constant of 5.26X10-17 cu cm/molecule-sec(SRC), estimated with a structure estimation method(4). The vapor phase reaction of 1,3-pentadiene with nitrate radicals may be an important atmospheric removal process in urban areas at night(5), but the rate of this reaction is not known.|TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 500(SRC), determined from a measured log Kow of 2.44(2) and a regression-derived equation(3), indicates that trans-1,3-pentadiene is expected to have low mobility in soil(SRC). Volatilization of trans-1,3-pentadiene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.12 atm-cu m/mole(SRC), using a fragment constant estimation method(4). The potential for volatilization of trans-1,3-pentadiene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 411 mm Hg(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 500(SRC), determined from a measured log Kow of 2.44(2) and a regression-derived equation(3), indicates that trans-1,3-pentadiene 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 0.12 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 51 min and 78 hours, respectively(SRC). According to a classification scheme(5), an estimated BCF of 15(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), trans-1,3-pentadiene, which has a vapor pressure of 411 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase trans-1,3-pentadiene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 3.7 hours(SRC), calculated from its rate constant of 1.05X10-10 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). Vapor-phase trans-1,3-pentadiene is also degraded in the atmosphere by reaction with photochemically-produced ozone(SRC); the half-life for this reaction in air is estimated to be 5.2 hours(SRC), calculated from its rate constant of 5.26X10-17 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). In general, the night time degradation of conjugated diolefins by the gas-phase reaction with nitrate radicals may be important in urban areas or in heavily polluted atmospheres(4), and this may be an important removal process for trans-1,3-pentadiene(SRC).

Experimental rate constants for the vapor-phase reaction of cis-1,3-pentadiene with photochemically produced hydroxyl radicals of 1.01X10-10 cu cm/molecule-sec at 24 °C(1) and 1.03X10-10 cu cm/molecule-sec at 27 °C(2) correspond to half-lives of 3.8 and 3.7 hrs, respectively(SRC), using an average hydroxyl radical concentration of 5X10+5 molecules/cu cm(2). The rate of this reaction for the trans isomer is not expected to differ significantly(2), therefore, the above values represent the vapor-phase reaction between 1,3-pentadiene and photochemically produced hydroxyl radicals(SRC). The rate constant for the vapor-phase reaction of 1,3-pentadiene (both cis and trans isomers) with ozone molecules has been estimated as 5.26X10-17 cu cm/molecule-sec(SRC), at 25 °C(SRC) using a fragment constant estimation method(3). This corresponds to an atmospheric half-life of about 5 hours at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(4). In general, the night time degradation of conjugated diolefins by the gas-phase reaction with nitrate radicals may be important in urban areas or in heavily polluted atmospheres(5), and this may be an important removal process for 1,3-pentadiene, but the rate of this reaction is not known(SRC). 1,3-Pentadiene is not expected to undergo hydrolysis in the environment due to a lack of hydrolyzable functional groups(6). 1,3-Pentadiene has been shown to undergo photo-induced isomerization in solutions containing photosensitizers such as humic acids(7-9). When a 1X10-5 molar solution of cis-1,3-pentadiene in river water or in laboratory solutions containing humic acids or known triplet photosensitizers were subjected to natural sunlight, isomerization occurred until a photostationary state of 56% trans-1,3-pentadiene and 44% cis-1,3-pentadiene was achieved, indicating that both isomers underwent this photo-isomerization(7).|The rate constant for the vapor-phase reaction of trans-1,3-pentadiene with photochemically-produced hydroxyl radicals has been estimated as 1.05X10-10 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 3.7 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The rate constant for the vapor-phase reaction of trans-1,3-pentadiene with photochemically-produced ozone has been estimated as 5.26X10-17 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5.2 hours at an atmospheric concentration of 7X10+11 ozone per cu cm(1). In general, the night time degradation of conjugated diolefins by the gas-phase reaction with nitrate radicals may be important in urban areas or in heavily polluted atmospheres(2), and this may be an important removal process for trans-1,3-pentadiene(SRC). trans-1,3-Pentadiene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3). No detectable photoreaction was observed when distilled water solutions of trans-1,3-pentadiene were exposed to sunlight for 1 day(4). When a 1X10-5 molar solution of cis-1,3-pentadiene in river water or in laboratory solutions containing humic acids were subjected to natural sunlight, isomerization occurred until a photostationary state of 56% trans-1,3-pentadiene and 44% cis-1,3-pentadiene was achieved, indicating that trans-1,3-pentadiene underwent a photo-isomerization(4). Kinetic studies indicate that the isomerization does not involve binding of 1,3-pentadiene to the humic substances but rather the transfer of energy from the triplet state of the humic material(5). The midrange half-life for the photo-isomerization reaction is 14 hours(6). Isomerization of trans-1,3-pentadiene in distilled water with added algae did not occur when this solution was subjected to sunlight(7).

An estimated BCF of 15 was calculated for 1,3-pentadiene(SRC), using a log Kow of 2.44(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).|An estimated BCF of 15 was calculated for trans-1,3-pentadiene(SRC), using a log Kow of 2.44(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

The Koc of 1,3-pentadiene is estimated as 500(SRC), using a log Kow of 2.44(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,3-pentadiene is expected to have low mobility in soil(SRC).|The Koc of trans-1,3-pentadiene is estimated as 500(SRC), using a measured log Kow of 2.44(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that trans-1,3-pentadiene is expected to have low mobility in soil(SRC).

The Henry's Law constant for 1,3-pentadiene is estimated as 0.069 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,3-pentadiene is expected to volatilize rapidly from water surfaces(2). 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)(2) is estimated as 1 hour(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 78 hours(SRC). 1,3-Pentadiene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,3-pentadiene from dry soil surfaces exists based upon a vapor pressure of 405 mm Hg(3).|The Henry's Law constant for trans-1,3-pentadiene is estimated as 0.12 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that trans-1,3-pentadiene is expected to volatilize rapidly from water surfaces(2). 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)(2) is estimated as 51 min(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3.3 days(SRC). trans-1,3-Pentadiene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of trans-1,3-pentadiene from dry soil surfaces may exist based upon a vapor pressure of 411 mm Hg(3).

NIOSH (NOES Survey 1981-83) has statistically estimated that 67 workers are potentially exposed to 1,3-pentadiene in the US(1). Occupational exposure may occur through inhalation and dermal contact with this compound at workplaces where 1,3-pentadiene is produced or used(SRC).|Occupational exposure to trans-1,3-pentadiene may occur through inhalation and dermal contact with this compound at workplaces where trans-1,3-pentadiene is produced or used(SRC). Inhalation of the exhaust of motor vehicles may also lead to trans-1,3-pentadiene exposure by the general population(1).

Cyclopentene

Vapors may cause dizziness or suffocation; contact may irritate skin and eyes. (USCG, 1999)

INHALATION: Move victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. EYES OR SKIN: Flush immediately with running for at least 15 minutes; hold eyelids open if necessary. Wash skin with soap and water. Remove and isolate contaminated clothing and shoes at the site. If swallowed and victim is UNCONSCIOUS OR HAVING CONVULSIONS, do nothing except keep victim warm. (USCG, 1999)

Fresh air, rest. Seek medical attention if you feel unwell.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention if skin irritation occurs.

Rinse with plenty of water (remove contact lenses if easily possible).

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aliphatic hydrocarbons and related compounds/|Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in respiratory rest. Positive pressure ventilation techniques with a bag-valve-mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aliphatic hydrocarbons and related compounds/

1,3-pentadiene

The substance can be absorbed into the body by inhalation.

Redness.

Redness.

Technical product 90%

Plastic material and resin manufacturing|1,3-Pentadiene: ACTIVE|1,3-Pentadiene, (3E)-: ACTIVE|Alkenes, C5, polymd.: ACTIVE|XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).|Mixture of cis + trans isomers

Fire Hazards -> Flammable - 3rd degree, Reactive - 2nd degree