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N-Methyl-1-butanamin
nmbua · Butylmethylamine · Methylbutylamine · Methylaminobutane · N-Butylmethylamin · N-Methylbutylamin · N-Methybutylamine · N-Methylbutanamine
Identifikatoren & physikalische Daten
| CAS No. | 110-68-9 |
|---|---|
| Summenformel | C5H13N |
| Durchschnittliche Molmasse | 87,16 g/mol |
| Monoisotopische Masse | 87,10479942 g/mol |
| SMILES | CCCCNC |
| InChIKey | QCOGKXLOEWLIDC-UHFFFAOYSA-N |
| PubChem CID | 8068 |
| ChEBI | CHEBI:59019 |
| EC No. | 203-791-2 |
| DTXSID | DTXSID9059389 |
| Lokaler Name | N-Methyl-1-butanamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 19 |
| LogP (Verteilungskoeffizient) | log Kow = 1.33 |
| Dichte | 0.7637 g/cu cm at 15 °C0.7335 @25 °C0.736 g/mL at 25 °C(lit.) |
| Color/Form | Liquid |
| Löslichkeit | Miscible in water |
| Flammpunkt | 55 °F (NFPA, 2010)55 °F (13 °C) (open cup)35 °F |
| Siedepunkt | 91 °C91 °C @760 [mm Hg]90.5-91.5 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| Schmelzpunkt | Freezing point: -75.0 °C-75 °C |
| Dampfdichte | 3.0 (AIR= 1) |
| Dampfdruck | 50.5 [mmHg] |
| Physical Description | N-methylbutylamine appears as a water-white liquid with an ammonia-like odor. Density 0.736 g / cm3 and flash point 35 °F (Aldrich). Vapors heavier than air. Used to make other chemicals.Colorless liquid with an ammonical odor[CAMEO] |
| Dissociation Constants | pKa = 10.9 (conjugate acid) |
| Brechungsindex | n20/D 1.3995(lit.) |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | pK1: 10.90(+1) (25°C) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| Explosionsgrenze | 1.3%(V) |
| BRN | 1209231 |
| Henry-Konstante | 1.3×10-1 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | 1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3/p+1 |
| InChIKey | QCOGKXLOEWLIDC-UHFFFAOYSA-O |
| CAS Datenbank | 110-68-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Butanamine, N-methyl- (110-68-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (89.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (10.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H332 (87%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Butylmethylamine: Does not have an individual approval but may be used under an appropriate group standardThe 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-Kennzeichnung | Flammable Liquid Corrosive |
| Brandgefahren | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:Flammable/combustible material. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)· Flammable/combustible material.· May be ignited by heat, sparks or flames.· Vapors may form explosive mixtures with air.· Vapors may travel to source of ignition and flash back.· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).· Vapor explosion hazard indoors, outdoors or in sewers.· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.· Runoff to sewer may create fire or explosion hazard.· Containers may explode when heated.· Many liquids will float on water. |
| Brandpotenzial | FLAMMABLE LIQUID WHEN EXPOSED TO HEAT, SPARKS, OR FLAME. |
| Gesundheitsgefahren | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:May cause toxic effects if inhaled or ingested. Contact with substance may cause severe burns to skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)· May cause toxic effects if inhaled or ingested.· Contact with substance may cause severe burns to skin and eyes.· Fire will produce irritating, corrosive and/or toxic gases.· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.· Runoff from fire control or dilution water may cause environmental contamination. |
| Gefahrenübersicht | Flammable liquid[Hawley] A skin and severe eye irritantEmergency treatment: Corrosives- alkaline[HSDB] May cause burns[CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractMay cause edema and chemical pneumonitis[MSDSonline] |
| DOT-Nummer und Handbuch | 2945 132 |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | N-METHYLBUTYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| DOT Emergency Guidelines | /GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Fire or Explosion: Flammable/combustible material. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water./GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Health: May cause toxic effects if inhaled or ingested/swallowed. Contact with substance may cause severe burns to skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution./GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ 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 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering./GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLYit is not effective in spill situations where direct contact with the substance is possible.For more DOT Emergency Guidelines (Complete) data for BUTYLMETHYLAMINE (8 total), please visit the HSDB record page. |
| DOT Hazard Classification | N-MethylbutylamineUN2945Class 3 Flammable and combustible liquid (49 eCFR § 173.120)Class 8 Corrosive material (49 eCFR § 173.136)PG II: the degree of danger presented by the material is mediumFor more information about the packing group assignment, please visit 49 eCFR § 173 |
| Brandbekämpfung | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:Some of these materials may react violently with water.SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.LARGE FIRE: Water spray, fog or alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal. Do not get water inside containers.FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzlesif this is impossible, withdraw from area and let fire burn. (ERG, 2024) |
| Freisetungsmaßnahmen | · 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.· Keep unauthorized personnel away.· Stay upwind, uphill and/or upstream.· Ventilate closed spaces before entering, but only if properly trained and equipped.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from 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 with earth, sand or other non-combustible material.· For hydrazine, absorb with DRY sand or inert absorbent (vermiculite or absorbent pads).· 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. |
| Erste Hilfe | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024)General First Aid:· Call 911 or emergency medical service.· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.· Move victim to fresh air if it can be done safely.· Administer oxygen if breathing is difficult.· If victim is not breathing:-- DO NOT perform mouth-to-mouth resuscitationthe victim may have ingested or inhaled the substance.-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.· Remove and isolate contaminated clothing and shoes.· For minor skin contact, avoid spreading material on unaffected skin.· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.· For severe burns, immediate medical attention is required.· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.· Keep victim calm and warm.· Keep victim under observation.· For further assistance, contact your local Poison Control Center.· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.Specific First Aid:· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA).· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. |
| Brandbekämpfungsverfahren | ALCOHOL FOAMIf 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. Use "alcohol" foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources. |
| Freisetung ohne Brand | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from 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 with earth, sand or other non-combustible material. For hydrazine, absorb with DRY sand or inert absorbent (vermiculite or absorbent pads). 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, 2024) |
| Entsorgungsverfahren | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations./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. |
| Preventive Measures | SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.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. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. If contact with the material anticipated, wear appropriate chemical protective clothing. |
| Isolation and Evacuation | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)Immediate precautionary measure· Isolate spill or leak area for at least 50 meters (150 feet) in all directions.· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.· For non-highlighted materials: increase the immediate precautionary measure distance, in the downwind direction, as necessary.· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. |
| Protective Action Criteria (PAC) | 1.3 [ppm]14 [ppm]86 [ppm] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)SRP: When working with strong solutions of acids or bases or other caustic or corrosive materials, always wear a full face mask. When working with caustic or corrosive gases or vapors, a full face mask will not protect the eyes or prevent inhaling the material. A full face respirator is required.Personnel protection: ... Wear appropriate chemical protective gloves, boots and goggles. |
| Emergency Response Planning Guidelines | · Some of these materials may react violently with water.Small Fire· Dry chemical, CO2, water spray or alcohol-resistant foam.Large Fire· Water spray, fog or alcohol-resistant foam.· If it can be done safely, move undamaged containers away from the area around the fire.· Dike runoff from fire control for later disposal.· Do not get water inside containers.Fire Involving Tanks, Rail Tank Cars or Highway Tanks· Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.· Cool containers with flooding quantities of water until well after fire is out.· Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.· ALWAYS stay away from tanks in direct contact with flames.· For massive fire, use unmanned master stream devices or monitor nozzlesif this is impossible, withdraw from area and let fire burn. |
| Umweltverhalten | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 1.33(2) and a regression-derived equation(3), indicates that butylmethylamine is expected to have high mobility in soil(SRC). The pKa of butylmethylamine is 10.9(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 butylmethylamine from moist soil surfaces is not expected to be an important fate process given its cationic state(SRC). Butylmethylamine is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 50 mm Hg(SRC), determined from a fragment constant method(6).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 1.33(2) and a regression-derived equation(3), indicates that butylmethylamine is expected to adsorb to suspended solids and sediment(SRC). A pKa of 10.9(4) indicates butylmethylamine 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 2(SRC), from its log Kow(2) and a regression-derived equation(7), 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), butylmethylamine, which has an estimated vapor pressure of 50 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase butylmethylamine 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 5 hours(SRC), calculated from its rate constant of 7.8X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Butylmethylamine 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). |
| Lebensmitteluntersuchungswerte | Butylmethylamine was detected in evaporated milk at a concentration of 0.2 ppm(1). |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| Milk Concentrations | Butylmethylamine was detected in evaporated milk at a concn of 0.2 ppm(1). |
| Plant Concentrations | Aliphatic amines, including butylmethylamine were identified, not quantified, in tobacco leaves(1). |
| Soil Adsorption/Mobility | The Koc of butylmethylamine is estimated as 130(SRC), using a log Kow of 1.33(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that butylmethylamine is expected to have high mobility in soil. The pKa of butylmethylamine is 10.9(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). |
| Natural Pollution Sources | ... amines from decomposing fish ... /Amines/Aliphatic amines, including butylmethylamine were identified, not quantified, in tobacco leaves(1). |
| Human Toxicity Excerpts | /OTHER TOXICITY INFORMATION/ Since the amines are bases and may form strongly alkaline solutions, they can be damaging if splashed in the eye or if allowed to contaminate the skin. Otherwise they have no specific toxic properties, and the lower aliphatic amines are normal constituents of body tissues, so that they occur in a large number of foods, particularly fish, to which they impart a characteristic odor. One area of concern at present is the possibility that some aliphatic amines may react with nitrate or nitrite in vivo to form nitroso compounds, many of which are known to be potent carcinogens in animals ... . /Aliphatic amines/ |
| Artificial Pollution Sources | Butylmethylamine's production and use as a chemical intermediate(1) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | AEROBIC: Pure cultures of the fungus Penicillium digitatum readily biodegraded primary amines, but secondary amines such as butylmethylamine were much slower to biodegrade(1). |
| Environmental Bioconcentration | An estimated BCF of 2 was calculated in fish for butylmethylamine(SRC), using a log Kow of 1.33(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). |
| Volatilization from Water/Soil | A pKa of 10.9(1) indicates butylmethylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil surfaces is not expected to be an important fate process(2). Butylmethylamine is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 50 mm Hg(SRC), determined from a fragment constant method(3). |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2945 |
| Zollcode | 29211999 |
| RTECS-Nr. | EO5250000 |
| R-Sätze (R) | 11-20/21/22-34 |
| Toxizität | LD50 orally in Rabbit: 420 mg/kg LD50 dermal Rabbit 932 mg/kg |
| Gefahrensymbole | F,C |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
| Gefahrenklasse | 3Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 110-68-9(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Intermediate.