Propylene

HCID 8252CAS 115-07-1

Grundinformationen

Standard-SMILES
C=CC
InChIKey
QQONPFPTGQHPMA-UHFFFAOYSA-N
Summenformel
C3H6
Durchschnittliche Molmasse
42,08 g/mol
Monoisotopische Masse
42,04695019

Überblick

Propylene is a colorless gas with a faint petroleum like odor. It is shipped as a liquefied gas under its own vapor pressure. For transportation it may be stenched. Contact with the liquid can cause frostbite. It is easily ignited. The vapors are heavier than air. Any leak can either be liquid or vapor. It can asphyxiate by the displacement of air. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. It is used to make other chemicals. Can cause explosion.

Namen und Bezeichner

Bevorzugter Name
Propylene
IUPAC
prop-1-ene
Englischer Name
Propylene
Summenformel
C3H6
Molmasse
42.08

Namen und Synonyme

PROPYLENEPropeneprop-1-ene1-PropeneMethylethylene115-07-1Methylethene1-PropyleneNCI-C50077AUG1H506LYR 1270DTXSID5021205
Weitere Namen anzeigen
Propenr1270PropylenCH3CH=CH2PROPENE A10906HC 1270
CHEBI:16052isopropylideneRefChem:9088DTXCID501205204-062-1Propene-2-13CMFCD00009279Propene-1-13C (gas)

Datenbank-Bezeichner

CAS
115-07-1、13987-01-4、25085-53-4、6842-15-5、90530-12-4、97102-85-7
PubChem CID
8252
DTXSID
DTXSID5021205
ChEMBL
CHEMBL117213
ChEBI
CHEBI:16052
UNII
AUG1H506LY
EC Number
204-062-1、292-050-7、306-335-1
Nikkaji
J2.463E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
0
Schwere Atome
3

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Toxic Gases & Vapors -> Simple Asphyxiants

Flammable agents - 4th degree

SpringerMaterials PropertiesSchoenflies notation
LogP · 2 Einträge

log Kow = 1.77

1.77

Odor · 2 Einträge

Practically odorless; aromatic

Faint, petroleum-like

Density · 6 Einträge

0.609 at -52.6 °F (USCG, 1999) - Less dense than water; will float

0.5139 at 20 °C/4 °C (liquid)

Density: 1.49 (Air = 1.0) (triple point)

Density: 0.505 g/cu cm at 25 °C (pressure >1 atm )

Relative density (water = 1): 0.5

0.609 at -52.6 °F

Viscosity83.4 micropoises at 16.7 °C

Physikochemische Eigenschaften

Schmelzpunkt
185 °C · −185 °C(lit.)
Siedepunkt
47.7 °C · −47.7 °C(lit.)
Dichte
1.49 · 1.49
Dampfdichte
1.48 · 1.48 (vs air)
Dampfdruck
15.4 atm · 15.4 atm ( 37.7 °C)
Brechungsindex
1.3567 · 1.3567

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H220: Extremely flammable gas [Danger Flammable gases]

P203, P210, P222, P280, P377, P381, and P403 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2232) of reports.

Danger

H220 (> 99.9%): Extremely flammable gas [Danger Flammable gases]

Gefahrenhinweise

Regulatory Information · 6 Einträge

Chemical: 1-Propene

Hazard Traits - Respiratory Toxicity

1-Propene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propene 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: Active Update: 31-07-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16184

Propylene: HSNO Approval: HSR001011 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - 1-Propene: Human health tier I assessment
DOT LabelFlammable Gas
Fire Hazards · 4 Einträge

Behavior in Fire: Containers may explode. Vapor is heavier than air and may travel considerable distance to a source of ignition and flash back. (USCG, 1999)

· EXTREMELY FLAMMABLE.

· EXTREMELY FLAMMABLE.

Extremely flammable. Gas/air mixtures are explosive.

Fire Potential · 2 Einträge

Flammable gas and very dangerous fire hazard when exposed to heat, flame, or oxidizers.

Dangerous fire risk.

Health Hazards · 3 Einträge

Moderate concentration in air causes dizziness, drowsiness, and unconsciousness. Contact with liquefied propylene will cause "freezing burn". (USCG, 1999)

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:

Shut off supply; if not possible and no risk to surroundings, let the fire burn itself out. In other cases extinguish with powder, carbon dioxide. In case of fire: keep cylinder cool by spraying with water. NO direct contact with water. Combat fire from a sheltered position.

First Aid Measures · 3 Einträge

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

ON FROSTBITE: rinse with plenty of water, do NOT remove clothes. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Accidental Release Measures · 4 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 Einträge

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

General First Aid:

Safe StorageFireproof. Cool.
Firefighting Hazards · 2 Einträge

Hazardous decomposition products formed under fire conditions: Carbon oxides

Vapor is heavier than air and may travel considerable distance to a source of ignition and flash back.

Toxikologische Informationen

Body BurdenIn a pilot study of pollutants in the breast milk of women living in 4 urban industrial areas in the USA, propylene was detected in 2 of 12 samples(1).
Environmental Fate · 4 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 22(SRC), determined from a structure estimation method(2), indicates that propylene is expected to have very high mobility in soil(SRC). Volatilization of propylene from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 0.196 atm-cu m/mole(3). Propylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8690 mm Hg at 25 °C(4). Biodegradation data in soil were not available(SRC, 2017). However, propylene was biodegraded to propylene oxide using acclimated cell free extracts(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 22(SRC), determined from a structure estimation method(2), indicates that propylene is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 0.196 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 hrs and 3 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from its log Kow of 1.77(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data in water were not available(SRC, 2017). However, propylene was biodegraded to propylene oxide using acclimated cell free extracts(7).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), propylene, which has a vapor pressure of 8690 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase propylene 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 15 hrs(SRC), calculated from its rate constant of 2.9X10-11 cu cm/molecule-sec at 25 °C(3). Gas-phase propylene is degraded in the atmosphere by reaction with ozone(SRC); the half-life for this reaction in air is estimated to be 23 hrs(4), calculated from its rate constant of 1.2X10-17 cu cm/molecule-sec at 25 °C(5). Propylene does not contain chromophores that absorb at wavelengths >290 nm(6) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

ATMOSPHERIC FATE: The atmospheric fate and photochemical reactions of propylene ... indicate that the principal reactant is the hydroxyl radical. Reactions of propylene with ozone occur predominantly in the evening, while reactions of propylene with atomic oxygen or sulfur dioxide (SO2) are reported to be insignificant ... because of their relatively low /atmospheric/ concentration. ... The atmospheric half-life of propylene was 7.7 hr (calc).

Food Survey Values · 1 Eintrag

Propylene is a volatile component of garlic essential oils with a reported concentration range of 0.01-5.99 ug/g garlic bulb(1). Propylene has been qualitatively detected in the gaseous metabolites released by germinating beans, corn, and pea seeds(2).

Adverse EffectsOther Poison - Simple Asphyxiant
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Milk ConcentrationsIn a pilot study of pollutants in the breast milk of women living in 4 urban industrial areas in the USA, propylene was qualitatively detected in 2 of 12 samples(1).

Regulatorische Informationen

Atmospheric Standards · 1 Eintrag

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Propylene is produced, as an intermediate or a final product, by process units covered under this subpart.

DHS Chemicals of Interest (COI) · 4 Einträge

Propylene

1

10000

Flammable chemical that can be released at a facility.

Sicherheitsdaten

wgk
-
tsca
TSCA listed
ridadr
UN 1077
hs_code
29012200
RTECS-Nr.
UC6740000
risk_code
12

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

In an in vitro study of the mechanism of action of ethylene as a plant growth inhibitor, the effects of ethylene and some of its analogs, including propylene, on the oxidation of indole-3-acetic acid were examined. Ethylene and its analogs inhibited the oxidation of indole-3-acetic acid by peroxidase under conditions where the iron complex (compound III, an oxy-ferrous complex of peroxidase) shuttle was activated. Inhibition occurred only in the presence of the superoxide anion radical 02(-). Spectral and kinetic data indicated that ethylene and its analogs enhanced the rate of reaction of 02(-) with peroxidase; ie, the iron complex (compound III) shuttle, resulting in the formation of compound III. Propylene was a less effective inhibitor than ethylene.

Metabolism/Metabolites · 4 Einträge

...Exposure to 6 ppm propylene for 6 hours produced 160 ng propylene oxide per gram of blood in rats... 600 ppm propylene for 8 hours produced 740 ng propylene oxide per gram of blood. Both exposure concentrations reduced nasal and liver cytochrome P450 levels (to differing degrees).

Propylene oxide is produced during the first step of propylene metabolism. Epoxidation by a reconstituted cytochrome P450LM2 system including cytochrome P450 reductase proceeded with a concomitant, stereospecific (trans to the alkyl group) hydrogen/deuterium exchange from the aqueous phase when trans-1-deuterio-propylene in H2O or propylene in D2O (pH 7.4, 4 °C) was used. Both enantiomers of propylene oxide were found after incubation (37 °C, pH 7.4) of propylene with an NADPH-regenerating system and microsomes prepared from livers of male Wistar rats (control and phenobarbital-pretreated animals) and male NMRI/HAN mice (control, phenobarbital- and benzo[a]pyrene-pretreated animals). Epoxide hydrolase activity was inhibited in those incubates which contained trichloropropylene oxide. In incubations with liver microsomes of rats, about 30% of R- and about 70% of S-enantiomer were formed, whereas with mouse microsomes the amounts of the two enantiomers were nearly equal: R, 42-55%; S, 45-58%, depending on the pretreatment.

Alkylation of DNA at the N7 position of guanine was investigated in male CBA mice exposed to atmospheric propylene or uniformly labelled (14)C-propylene. The adduct levels were related to the concentration of propylene oxide (0.88 mmol/kg bw), calculated from the rate of propylene metabolism. Immediately after exposure to 107 MBq uniformly labelled (14)C-propylene (18.1 MBq/mmol propylene) for 7 hr in a closed exposure chamber, in which the atmospheric concentration-time course was measured after injection of a single dose into the chamber atmosphere, the mice were killed and 2-hydroxypropyl-DNA adducts were measured. The values were: liver, 3000 pmol/g DNA; kidney, 3000 pmol/g DNA; and spleen, 2000 pmol/g DNA.

... Exposure to 6 ppm propylene for 6 hours produced 160 ng propylene oxide per gram of blood in rats... 600 ppm propylene for 8 hours produced 740 ng propylene oxide per gram of blood. Both exposure concentrations reduced nasal and liver cytochrome P450 levels (to differing degrees).

Absorption, Distribution and Excretion · 5 Einträge

Accumulation is /unlikely/ because of rapid removal from the body. ... A direct chemical interaction between propylene and biological media of the body is /also/ unlikely. Elimination occurs rapidly in an unaltered form through the lungs.

The pharmacokinetics of inhaled propylene have been investigated in male Sprague- Dawley rats and CBA mice in closed exposure chambers, in which the atmospheric concentration-time course was measured after injection of a single dose into the chamber atmosphere. The uptake of propylene into the body of rats has been found to be low. Clearance due to uptake, reflecting the rate of transfer of propylene from the atmosphere into the organism, was 19 mL/min for one rat weighing 250 g. This value represents only 16% of the alveolar ventilation (117 mL/min). Most propylene inhaled into the lungs is exhaled again and does not reach the blood to become systemically available. Maximal accumulation of propylene in the same rat, determined as the thermodynamic partition coefficient for whole body:air (Keq=Conc.animal/Conc.air), was only 1.6. At concentrations below 50 ppm [86 mg/cu m], the concentration ratio at steady-state whole body:air was even smaller (0.7), owing to metabolic elimination. At these concentrations, first-order kinetics were found, and clearance due to metabolism in relation to the concentration in the atmosphere was calculated to be 11 mL/min for a 250-g rat. Thus, at steady state, about 58% of systemically available propylene is eliminated metabolically and 42% is eliminated by exhalation as the unchanged substance. No corresponding data have been published for mice. In rats and mice, the rate of propylene metabolism showed saturation kinetics, with maximal metabolic rates (Vmax) of 0.17 umol/(min x 250 g bw) [1.7 mg/(hr x kg bw)] and 8 mg/(hr xkg bw) and atmospheric concentrations at Vmax/2 of 260 ppm (447 mg/cu m) and 800 ppm (1376 mg/cu m), respectively.

In male Sprague-Dawley rats, propylene /absorption/ becomes increasingly saturated at concentrations above 50 ppm [86 mg/m3] in the atmosphere...

Propylene exhibits saturation kinetics according to Michaelis-Menten.

A physiological toxicokinetic (PT) model was developed for inhaled propylene gas (PE) in mouse, rat, and human. Metabolism was simulated to occur in the liver (90%) and in the richly perfused tissue group (10%). The partition coefficients tissue:air were determined in vitro using tissues of mice, rats, and humans. Most of the tissues have partition coefficients of around 0.5. Only adipose tissue displays a 10 times higher value. The partition coefficient blood:air in human is 0.44, about half of that in rodents. PE can accumulate in the organism only barely. For male B6C3F1 mice and male Fischer 344/N rats, parameters of PE metabolism were obtained from gas uptake experiments. Maximum rates of metabolism (V(maxmo)) were 110 umol/hr/kg in mice and 50.4 umol/hr/kg in rats. V(maxmo)/2 was reached in mice at 270 ppm and in rats at 400 ppm of atmospheric PE. Pretreatment of the animals with sodium diethyldithiocarbamate resulted in an almost complete inhibition of PE metabolism in both species. Preliminary toxicokinetic data on PE metabolism in humans were obtained in one volunteer who was exposed up to 4.5 hr to constant concentrations of 5 and 25 ppm PE. The PT model was used to calculate PE blood concentrations at steady state. At 25 ppm, the blood values were comparable across species, with 0.19, 0.32, and 0.34 umol/L for mouse, rat, and human, respectively. However, the corresponding rates of PE metabolism differed dramatically, being 8.3, 2.1, and 0.29 umol/hr/kg in mouse, rat, and human. For a repeated human exposure to 25 ppm PE in air (8 hr/day, 5 days/wk), PE concentrations in venous blood were simulated. The prediction demonstrates that PE is eliminated so rapidly that it cannot accumulate in the organism. For low exposure concentrations, it became obvious that the rate of uptake into blood by inhalation is limited by the blood flow through the lung and the rate of metabolism is limited by the blood flow through the metabolizing organs.

Verwendung und Herstellung

Uses · 6 Einträge

Used as a chemical intermediate, e.g., polypropylene and isopropanol; [Merck Index]

In polymerized form as polypropylene for plastics and carpet fibers. Chemical intermediate in the manufacture of acetone, isopropylbenzene, isopropanol, isopropyl halides, propylene oxide, acrylonitrile, cumene.

Almost two thirds of the propene produced is used to produce polypropylene, a plastic material accounting for 25% of all plastic products today. Other important applications are propylene oxide, acrylic acid, acrylonitrile and cumene.

Refinery-grade propene (i.e., 50-70% pure propene in propane) is obtained from refinery processes. The main uses of refinery propene are in liquefied petroleum gas for thermal use or as an octane-enhancing component in motor gasoline. Refinery-grade propene can also be used in some chemical syntheses.

Chemical-grade propene is used extensively for most chemical derivatives (e.g., oxo alcohols, acrylonitrile, or polypropylene).

For more Uses (Complete) data for Propylene (9 total), please visit the HSDB record page.

Impurities · 2 Einträge

Contaminants are propane, ethane, carbon dioxide.

Polymerization grade propylene typically contains the following impurities (ppm max): saturates (200), butylene (20), ethylene (20), methylacetylene (10), oxygen (10), butadiene (5), propadiene (5), carbon monoxide (5), carbon dioxide (5), water (5), hydrogen (5), and methanol (5).

U.S. Exports · 2 Einträge

(1972) NEGLIGIBLE

(1975) NEGLIGIBLE

U.S. Imports · 2 Einträge

(1972) NEGLIGIBLE

(1975) NEGLIGIBLE

U.S. Production · 6 Einträge

2023: 30,000,000,000 - <35,000,000,000 lb

(1972) 3.9X10+12 G

(1975) 4.0X10+12 G

(1985) 6.78X10+12 g

(1989) 9.3 X 10+12 g

For more U.S. Production (Complete) data for Propylene (17 total), please visit the HSDB record page.

Consumption Patterns · 5 Einträge

50% FOR ORGANIC CHEMICALS (INCLUDING 11% FOR POLYPROPYLENE; 8% FOR ACRYLONITRILE; 7% FOR PROPYLENE OXIDE; 7% FOR ISOPROPYL ALCOHOL; 5% FOR CUMENE; 4% FOR BUTYRALDEHYDES; 2% FOR NONENE; 1.5% FOR DODECENE; 1% FOR HEPTENE; 1% FOR ALLYL CHLORIDE; 0.5% FOR ETHYLENE-PROPYLENE ELASTOMER; 0.5% FOR ACROLEIN; 1.5% FOR OTHER CHEMICALS); 46% FOR GASOLINES (INCLUDING 36% FOR ALKYLATE GASOLINE; 10% FOR POLYMER GASOLINE); 4% FOR MISC APPLICATIONS (INCLUDING USE AS FUEL AND IN LIQUIFIED REFINERY GASES) (1974)

Polypropylene, 34%; Acrylonitrile, 17%; Propylene oxide, 11%; Cumene, 9%; Oxo chemicals, 8%; Isopropanol, 6%; Acrylic acid and esters, 5%; Miscellaneous, 10% (1984)

CHEMICAL PROFILE: Propylene. Polypropylene, 36%; acrylonitrile; 16%; propylene oxide, 11%; cumene, 8%; isopropanol, 6%; oligimers, 6%; acrylic acid, 3%; export, 1%; other, 5%.

CHEMICAL PROFILE: Propylene. Demand: 1985: 14.7 billion lb; 1986: 15.1 billion lb; 1990 /projected/: 17 billion lb.

For more Consumption Patterns (Complete) data for Propylene (8 total), please visit the HSDB record page.

Anwendungen · 2 Einträge

BeschreibungPropylene is a colorless, fl ammable gas that follows ethylene as the second simplest alkene hydrocarbon. It has an odor similar to garlic and has wide use in the chemical industry as an intermediate in the synthesis of other derivatives such as polypropylene, propylene oxide, isopropyl alcohol, acetone, and acrylonitrile. The production of propylene is similar to ethylene and is obtained through steam cracking of hydrocarbon feedstocks. Steam cracking is a process used to break molecules into smaller molecules by injecting the catalysts with steam.

VerwendenIn polymerized form as polypropylene for plastics and carpet fibers. Chemical intermediate in the manufacture of acetone, isopropylbenzene, isopropanol, isopropyl halides, propylene oxide, acrylonitrile, cumene.

Ergänzende Hinweise · 1 Eintrag

DefinitionA gaseous alkene. Propene is not normally present in the gaseous crude-oil fraction but can be obtained from heavier fractions by catalytic cracking. This is the principal industrial source. Propene is the organic starting material for the production of propan-2-ol, required for the manufacture of propanone (acetone), and the starting material for the production of polypropene (polypropylene).

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