HuagongsheHuagongshe Chemistry Print Report · For research reference only
Propylamine
PA · N-PROPYLAMINE · Propanamine · 1-Propylamine · MONO-N-PROPYLAMINE · MNPA · Propylamin · 1-PROPANAMINE
Identifiers & Physical Properties
| CAS No. | 107-10-8 |
|---|---|
| Molecular formula | C3H9N |
| Average molar mass | 59.11 g/mol |
| Monoisotopic mass | 59.07349929 g/mol |
| SMILES | CCCN |
| InChIKey | WGYKZJWCGVVSQN-UHFFFAOYSA-N |
| PubChem CID | 7852 |
| ChEMBL | CHEMBL14409 |
| ChEBI | CHEBI:39870 |
| EC No. | 203-462-3 |
| DTXSID | DTXSID6021878 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 4 |
| Formal charge | 0 |
| Complexity | 7.2 |
| Chemical classes | Nitrogen Compounds -> Amines, AliphaticFlammable agents - 3rd degree |
| pH | Alkaline12.6 (100g/l, H2O, 20℃) |
| SpringerMaterials Properties | Boiling point |
| LogP (partition coefficient) | log Kow = 0.480.15 |
| Odor | Strong ammonia odorammoniacal |
| Food additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.7182 at 68 °F (USCG, 1999) - Less dense than waterwill float0.719 at 20 °C/20 °CRelative density (water = 1): 0.7.0.714-0.7200.7191 @25 °C0.719 g/mL at 25 °C (lit.) |
| Flavoring agents | EU Flavoring substances |
| Color/Form | Colorless liquid |
| Solubility | Very soluble in ethanol, acetonesoluble in benzene, chloroformslightly soluble in carbon tetrachlorideIn water, 1X10+6 mg/L at 25 °C1000 mg/mL at 20 °CSolubility in water: miscibleSoluble in waterSoluble (in ethanol)water: soluble0.4 part(lit.) |
| Flash point | -35 °F (USCG, 1999)BELOW -37 °C (OPEN CUP)−35 °F |
| Boiling point | 119.5 °F at 760 mmHg (USCG, 1999)48-49 °C47.00 to 48.00 °C. @ 760.00 mm Hg48 °C48 °C (lit.) |
| Melting point | -83 °C (lit.) |
| Vapor density | 2 (vs air) |
| Vapor pressure | 4.79 psi ( 20 °C) |
| Refractive index | n20/D 1.388(lit.) |
| FEMA | 4237 | PROPYLAMINE |
| FLAVIS Number | 11.004 | Propylamine |
| Storage conditions | Store below +30°C. |
| pKa (acidity coefficient) | 10.6(at 20℃) |
| Physical state | Liquid |
| Specific gravity | 0.7173 |
| Color | Clear colorless to pale yellow |
| Odor type | ammoniacal |
| Odor threshold | 0.061ppm |
| Biological source | human blood |
| Explosive limits | 2.1-13.6%(V) |
| Specific heat capacity | Cp(liquid): 2.78 J/(g·K)Cp(gas): 1.54 J/(g·K), at 25℃ |
| Sensitivity | Air Sensitive |
| JECFA Number | 1580 |
| Merck | 14,7843 |
| BRN | 1098243 |
| Henry's law constant | 6.6×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| Exposure limits | No exposure limit has been set. Based on its similarity to ethylamine in irritation and toxicity, a TLV-TWA of 10 ppm (～24 mg/m3) should be appropriate. . |
| Dielectric constant | 3.0(Ambient) |
| Stability | Stable. Highly flammable. Note low flash point. Readily forms explosive mixtures with air. Incompatible with oxidising agents, strong acids. Store cool. |
| InChI | 1S/C3H9N/c1-2-3-4/h2-4H2,1H3 |
| InChIKey | WGYKZJWCGVVSQN-UHFFFAOYSA-N |
| SMILES | CCCN |
| LogP (partition coefficient) | 0.55 |
| CAS DataBase Reference | 107-10-8(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | PROPYLAMINE |
| EWG's Food Scores | 1 |
| NCI Dictionary of Cancer Terms | PA |
| FDA UNII | I76F18D635 |
| NIST Chemistry Reference | 1-Propanamine(107-10-8) |
| EPA Substance Registry System | Propylamine (107-10-8) |
| UNSPSC Code | 85151701 |
| NACRES | NA.24 |
| GHS pictogram | GHS02,GHS05,GHS06 |
| Signal word | Danger |
| GHS hazard statements | H311+H331-H302-H314-H225 |
| GHS precautionary statements | P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles |
| Hazard symbols | F,C |
| Risk statements (R) | 11-20/21/22-34-35-52/53 |
| Safety statements (S) | 26-36/37/39-45-16-7/9-36-61 |
| UN transport number | UN 1277 |
| Water hazard class (WGK) | 1 |
| RTECS number | UH9100000 |
| F | 34 |
| Autoignition temperature | 604 °F |
| TSCA inventory status | TSCA listed |
| Customs code | 2921 19 99 |
| Hazard class | 3Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Met. Corr. 1Skin Corr. 1BSTOT SE 3 |
| Packing group | II |
| Storage class | 3 - Flammable liquids |
| Hazardous substances data | 107-10-8(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 0.57 g/kg (Smyth) |
| REACH registrations | Active |
| Limited quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P234, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 182 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatory information | Chemical: 1-PropanamineCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Propanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanamine 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: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19981-Propanamine: HSNO Approval: HSR001261 Approved with controlsThe 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.) |
| DOT label | Flammable Liquid Corrosive |
| Fire hazards | Special Hazards of Combustion Products: Extreme danger, enter with great care. Thermal decomposition may produce nitrogen oxides, CO and/or CO2.· Flammable/combustible material.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. |
| Fire potential | FLAMMABLE LIQUID. |
| Health hazards | INHALATION: Mucous membrane and respiratory tract irritation. Tracheitis, bronchitis, pneumonitis, and pulmonary edema. EYES: Severe corneal damage or complete eye destruction. SKIN: Single drop-deep necrosis. INGESTION: Corrosive to G.I. tract. (USCG, 1999)· May cause toxic effects if inhaled or ingested. |
| Hazards summary | Animals exposed to lethal concentrations have dyspnea and hepatitis. [ChemIDplus] Corrosive to the skin, eyes, and respiratory tractCan cause pulmonary edema at high concentrations[NJ-HSFS] Liquid may cause second or third degree burns after brief skin contact. [CHRIS] May cause halo vision at lower concentrations[CHEMINFO] |
| DOT ID and guide | 1277 132 |
| Reactive group | Amines, Phosphines, and Pyridines |
| UN classification | UN Hazard Class: 3UN Subsidiary Risks: 8UN Pack Group: II |
| RCRA requirements | U194As stipulated in 40 CFR 261.33, when 1-propanamine, 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). |
| TSCA requirements | Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1-Propanamine is included on this list. |
| Reactivity Alerts | Highly Flammable |
| Fire fighting | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:Use powder, alcohol-resistant foam, water in large amounts, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| First aid measures | Fresh air, rest. Half-upright position. Refer immediately for medical attention.First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer immediately for medical attention.Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention. |
| Accidental release measures | · 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 | Call a physician.General First Aid: |
| Safe storage | Provision to contain effluent from fire extinguishing. Fireproof. Separated from strong oxidants, strong acids and food and feedstuffs. Dry. Well closed. Store in an area without drain or sewer access. |
| Firefighting Hazards | VAPOR IS HEAVIER THAN AIR ... & MAY TRAVEL A CONSIDERABLE DISTANCE TO SOURCE OF IGNITION & FLASH BACK. |
| Exposure control and personal protection | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Fire fighting procedures | Use water spray, dry chemical, "alcohol resistant" foam, or carbon dioxide. Use water spray to keep fire-exposed containers cool. Solid streams of water may be ineffective and spread material.If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide. |
| Storage conditions | Outside or detached storage is prefered. Avoid oxidizing material, acids, and sources of halogen. Store in a cool, dry, well-ventilated location.Keep Tightly Closed. |
| Cleanup methods | Overspread/spill with/ sufficient sodium bisulfate and sprinkle /with/ water. /Ethylamine/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 hoses.Environmental considerations-air spill: Apply water spray or mist to knock down vapors. |
| Nonfire spill response | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Disposal methods | [40 CFR 240-280, 300-306, 702-799 (7/1/2006)] Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U194, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U194, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.A potential 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 potential 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./Absorb small spills with paper and/ burn the paper in a suitable location away from combustible materials. Large quantities can be reclaimed or collected & atomized in suitable combustion chamber equipped with appropriate effluent gas cleaning device. |
| Ecotoxicity values | EC50Species: Anabaena subcylindrica (Blue-green algae, axenic, 1-3x 10+7 cells/mL)Conditions: freshwater, static, 25 °C, pH 7.2Concentration: 0.012 ug/cell for < or = 3 hrEffect: decreased nitrogen fixationConcentration: 1.8x10-8 ug/cell for < or = 3 hrEffect: photosynthesis, oxygen productionSpecies: Chlorella ellipsoidea (Green algae, axenic)Concentration: 0.4x10-8 ug/cell for 90 minSpecies: Daphnia magna (Water flea, Lake Langedam strain, age <24 hr)Conditions: freshwater, static, 20 °C, pH 7.8-8.0, hardness 250 mg/L CaCO3, dissolved oxygen 94-99%Concentration: 100 mg/L for 24 hrEffect: intoxication, immobilizationFor more Ecotoxicity Values (Complete) data for PROPYLAMINE (7 total), please visit the HSDB record page. |
| Environmental fate | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 43(SRC), determined from a log Kow of 0.48(2) and a regression-derived equation(3), indicates that propylamine is expected to have very high mobility in soil(SRC). The pKa of propylamine is 10.71(4), indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization of propylamine from moist soil surfaces is not expected to be an important fate process given its cationic state(SRC). Propylamine is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 310 mm Hg(6). Biodegradation of propylamine is expected to occur(7-9)a 102% theoretical BOD was measured after 13 days using a non-activated sludge inoculum(7).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 43(SRC), determined from a log Kow of 0.48(2) and a regression-derived equation(3), indicates that propylamine is not expected to adsorb to suspended solids and sediment(SRC). A pKa of 10.71(4) indicates propylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation of propylamine is expected to occur(8-10)a 102% of theoretical BOD was measured after 13 days using a non-activated sludge inoculum(8).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), propylamine, which has a vapor pressure of 310 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase propylamine 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 12 hours(SRC), calculated from its rate constant of 3.3X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Propylamine 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). |
| Food survey values | The following naturally occuring concns of propylamine (in mg/kg) were detected in various food products from W Germany: fresh rutabaga, 5.0paprika, 2.3paprika brine, 10.6cucumber, 0.1-7.5pepperoni, 1.4pickled onions, 1.8celery, 2.7cheese, 2-8.7brown bread, 1.6freeze-dried coffee and coffee extract, trace-0.5(1). Propylamine has been qualitatively detected in wine, beer, rice, barley, malt, and corn(2,3). |
| Adverse effects | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Exposure routes | The substance can be absorbed into the body by inhalation of its vapour, through the skin and by ingestion. Serious local effects by all routes of exposure. |
| Milk Concentrations | ... The presence of volatile aliphatic amines ... in human breast milk and amniotic fluid /was measured/ to assess their role in neonatal hypergastrinemia. These volatile nitrogenous amino acid metabolites have been previously demonstrated to stimulate gastrin release in in vivo and in vitro laboratory preparations. ... The present study ... demonstrated that these gastrin-stimulatory volatile amines were present in significant concentrations in breast milk during the first several weeks after parturition and in amniotic fluid. The individual amines that were identified in both human milk and amniotic fluid samples were methylamine, dimethylamine, ethylamine, trimethylamine, propylamine, isobutylamine, and butylamine. This study provides indirect evidence to support the possibility that the hypergastrinemia measured in the fetus/neonate during the period immediately before and after birth may be attributable, in part, to the ingestion of fluid containing high concentrations of gastrin-stimulating amines. |
| Ecotoxicity excerpts | /OTHER TERRESTRIAL SPECIES/ ... This research compared the toxicity and inhibition caused by three aliphatic amines (n-propylamine, ethylmethylamine, and trimethylamine) and their chlorinated derivatives. ... Acute toxicity assays were conducted by using a Microtox system with Phosphobacterium phosphoreum (also known as Vibrio fischeri) for the aliphatic amine compounds and their corresponding chlorinated derivatives, as identified by membrane introduction mass spectrometry (MIMS). Inhibition tests were conducted by using the oxygen utilization rate test with an enhanced nitrifier culture. ... Trimethylamine and n-propylamine caused greater inhibition to nitrifiers than did ethylmethylamine under similar concentrations. Nitrifier inhibition from these amines increased after chlorination. |
| Plant Concentrations | Propylamine has been identified in rice, corn, and barley(1) and occurs naturally in various species of marine algae(2). Latakia tobacco leaf has been found to contain propylamine(3). Propylamine has been detected in medicinal plant root samples collected from Nigeria, Africa, concn not specified(4). |
| Signs and Symptoms | Cough. Sore throat. Laboured breathing. Shortness of breath. Symptoms may be delayed.Redness. Pain. Serious skin burns.Watering of the eyes. Redness. Pain. Blurred vision. Severe burns. Loss of vision.Burns in mouth and throat. Burning sensation in the throat and chest. Abdominal pain. Vomiting. Diarrhoea. Shock or collapse. |
| Effluent Concentrations | A propylamine concn of 400 ppm was detected in a 1980 waste sample which was discharged into the ocean 74 km north of Arebico, Puerto Rico from a pharmaceutical manufacturer(1). In a laboratory study, propylamine was detected in the automobile exhaust of two gasoline fueled vehicles, concn not specified(2). An estimated 600 tons of propylamine are annually released in industrial effluents from industrial manufacturers (rubber chemicals, dyestuffs, pharmaceuticals, agricultural chemicals, corrosion inhibitors, textile and leather finishing resins) and users of the compound(3). |
| ICSC Environmental Data | The substance is harmful to aquatic organisms. |
| Soil Adsorption/Mobility | The Koc of propylamine is estimated as 43(SRC), using a log Kow of 0.48(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propylamine is expected to have very high mobility in soil. The pKa of propylamine is 10.71(4), indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). |
| Atmospheric standards | 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. Propylamine is produced, as an intermediate or a final product, by process units covered under this subpart. |
| CERCLA reportable quantities | 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 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b). |
| F | 34 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles |
| Water hazard class (WGK) | 1 |
| TSCA inventory status | TSCA listed |
| RTECS number | UH9100000 |
| UN transport number | UN 1277 |
| Customs code | 2921 19 99 |
| Toxicity | LD50 orally in rats: 0.57 g/kg (Smyth) |
| Risk statements (R) | 11-20/21/22-34-35-52/53 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS05,GHS06 |
| Hazard symbols | F,C |
| Safety statements (S) | 26-36/37/39-45-16-7/9-36-61 |
| Hazard class | 3Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Met. Corr. 1Skin Corr. 1BSTOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | II |
| Target organs | Respiratory system |
| GHS hazard statements | H311+H331-H302-H314-H225 |
| Limited quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| REACH registrations | Active |
| Autoignition temperature | 604 °F |
| GHS precautionary statements | P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405 |
| Hazardous substances data | 107-10-8(Hazardous Substances Data) |
Applications & Uses
Uses
1-Propylamine is used in chemical analysis and to make other chemicals, used as a solvent in organic synthesis. And it is used as finishing agent of drugs, paints, rubber, fiber, textile and resin. Additionally, it can be used as petroleum additive and preservative.
Uses
n-Propylamine is used as an intermediate inmany organic reactions. It has been used in the synthesis of single crystals of siliceous ferrierite.
General Description
A clear colorless liquid with an ammonia-like odor. Flash point -35°F. Less dense than water and soluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion. Used in chemical analysis and to make other chemicals.