1,3-Pentadiene

Plastics & Rubber -> Other Monomers

Plastics & Rubber -> Other Monomers

log Kow= 2.44

log Kow= 2.44

1.5 (estimated)

2.44

0.6834 at 68 °F (average value for cis and trans isomers) (USCG, 1999) - Less dense than water; will float

0.6760 @ 20 °C/4 °C

0.6710 g/ml @ 25 °C

0.7 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.7

Colorless liquid

Colorless liquid

SOL IN ALL PROP IN ALC, ETHER, ACETONE, BENZENE, HEPTANE, & CARBON TETRACHLORIDE

MISCIBLE WITH ALCOHOL, ETHER, ACETONE, BENZENE

Water solubility of >341 mg/l at room temperature.

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

-20 °F (USCG, 1999)

-29 °C (CLOSED CUP)

-28 °C c.c.

109 °F at 760 mmHg (NFPA, 2010)

42 °C

42 °C

-222 °F (USCG, 1999)

-87.5 °C

-87 °C

2.35 (AIR= 1)

Relative vapor density (air = 1): 2.35

This chemical does not meet GHS hazard criteria for 5.1% (13 of 256) of reports.

Danger

H225 (94.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 256 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Chemical: 1,3-Pentadiene

Chemical: 1,3-Pentadiene, (E)-

1,3-Pentadiene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Pentadiene are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1,3-Pentadiene, (3E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Pentadiene, (3E)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: No longer Valid Update: 30-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1772

1,3-Pentadiene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Special Hazards of Combustion Products: Fire produces irritating and poisonous gases.

Highly flammable. Vapour/air mixtures are explosive. Heating will cause rise in pressure with risk of bursting.

HIGHLY FLAMMABLE, DANGEROUS FIRE RISK.

A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials.

A skin and eye irritant; Inhaled at high concentrations, it may act as a simple asphyxiant; [NJ-HSFS] Causes somnolence and ataxia in lethal-dose inhalation studies of rodents; [RTECS] See trans-1,3-Pentadiene.

In lethal concentration studies, rats have somnolence, ataxia, and dyspnea; [RTECS] May cause moderate skin irritation on prolonged contact, based on animal studies; [CHEMINFO] An irritant; [MSDSonline]

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 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].

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Use water spray, foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

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).

Rinse mouth. Do NOT induce vomiting. Seek medical attention if you feel unwell.

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.

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.

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).

Neurotoxin - Acute solvent syndrome

Neurotoxin - Acute solvent syndrome

Redness.

Redness.

Nausea. Vomiting. Aspiration hazard!

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).

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).

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).

No biodegradation data regarding 1,3-pentadiene were located(SRC), however data on a similar compound, 1,3-butadiene are available(1-4). Laboratory studies employing pure bacterial cultures isolated from lake and soil samples were shown to degrade 1,3-butadiene to 1,2-epoxybutene, however it is not clear what the rate of degradation will be under environmental conditions(1-3). The biodegradation half-life of 1,3-butadiene in aerobic waters has been reported as 7 days and the half-life in anaerobic waters was reported as 28 days(4). These data suggest that 1,3-pentadiene will also undergo biodegradation under similar conditions(SRC).

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 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).

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).

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).

1,3-Pentadiene

1

10000

Flammable chemical that can be released at a facility.

Used as an intermediate and co-monomer in production of polymers and other organic chemicals; [Hawley]

A product of combustion; Used to make polymers and other chemicals; [HSDB]

/co-monomer in production of/ polymers, maleic anhydride adducts; intermediate.

Polymers, maleic anhydride adducts; intermediate

2023: 2,500,000 - <4,000,000 lb

2023: 54,196,074 lb

(1988) 123 million lb

Not Known or Reasonably Ascertainable

Other

Fuel

Other

The methylation of butadiene with dimethyl sulfoxide in the presence of a base, such as potassium t-butoxide, produces 1,3-pentadiene (80% trans, 20% cis)

The methylation of butadiene with dimethyl sulfoxide in the presence of a base such as potassium t-butoxide.

Petrochemical Manufacturing

Plastics Material and Resin Manufacturing

1,3-Pentadiene: ACTIVE

1,3-Pentadiene, (3E)-: ACTIVE

Mixture of cis + trans isomers