Isopropylamine(CAS No. 75-31-0)

Isopropylamine C3H9N (cas 75-31-0) Molecular Structure

75-31-0 Structure

Identification and Related Records

【CAS Registry number】
【Molecular Formula】
C3H9N (Products with the same molecular formula)
【Molecular Weight】
【Canonical SMILES】
【MOL File】

Chemical and Physical Properties

colourless liquid
【Melting Point】
【Boiling Point】
【Refractive Index】
【Flash Point】
Colorless liquid [Note: A gas above 91 degrees F].
Stable. Extremely flammable - note low boiling point and low flash point. Readily forms explosive mixtures with air. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides, perchloryl fluoride.
【Storage temp】
【Spectral properties】
Index of refraction: 1.3742 at 20 deg C
IR: 3813 (Coblentz Society spectral collection)
NMR: 9118 (Sadtler Research Laboratories spectral collection)
MASS: 18968 (NIST/EPA/MSDC Mass Spectral Database, 1990 Version)
RAMAN: 1053 (Sadtler Research Laboratories spectral collection)
【Computed Properties】
Molecular Weight:59.11026 [g/mol]
Molecular Formula:C3H9N
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:59.073499
MonoIsotopic Mass:59.073499
Topological Polar Surface Area:26
Heavy Atom Count:4
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
【Risk Statements】
【Safety Statements 】

Hazard Codes:?F+,Xi
Risk Statements: 12-36/37/38?
R12:Extremely flammable.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-29?
S16:Keep away from sources of ignition.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S29:Do not empty into drains.
RIDADR: UN 1221 3/PG 1
WGK Germany: 1
RTECS: NT8400000
F: 34
HazardClass: 3
PackingGroup: I

【PackingGroup 】
Air Sensitive
【Skin, Eye, and Respiratory Irritations】
Irritating to skin, eyes, and respiratory system.
A severe skin and eye irritant. Occasionally contact causes sensitization.
Humans exposed briefly to isopropylamine at 10 to 20 ppm experienced irritation of the nose and throat.
【Cleanup Methods】
SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.
In the event of a spill or leak involving isopropylamine, persons not wearing protective equipment and clothing should be restricted from contaminated areas until cleanup has been completed. The following steps should be undertaken following a spill or leak: 1. Notify safety personnel. 2. Remove all sources of heat and ignition. 3. Ventilate potentially explosive atmospheres. 4. Do not touch the spilled material; stop the leak if it is possible to do so without risk. 5. Use non-sparking tools. 6. Water spray may be used to reduce vapors, but the spray may not prevent ignition in closed spaces. 7. For small liquid spills, take up with sand or other noncombustible absorbent material and place into closed containers for later disposal. 8. For large liquid spills, build dikes far ahead of the spill to contain the isopropylamine for later reclamation or disposal.
Eliminate all ignition sources. Stop or control the leak, if this can be done without undue risk. Use water spray to cool and disperse vapors, protect personnel, and dilute spills to form nonflammable mixtures. Absorb in noncombustible material for proper disposal.
Land spill: dig a pit, pond, lagoon, holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner. Use of PVC and some forms of plastic or rubber as liner should be avoided as chemical attacks them./ Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.
Water spill: Use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hoses.
Air spill: Apply water spray or mist to knock down vapors.
The destruction of OPA isopropylamine/ from munitions demilitarization has been accomplished in supercritical water oxidation (SCWO) with oxygen as oxidant in an isothermal continuous-flow reactor. The experiments were conducted at a temperature of 689-887 deg K and a fixed pressure of 25 MPa, with a residence time that ranged from 7 sec to 14 sec. The destruction efficiency was measured by total organic carbon (TOC) conversion. At the reaction condition, the initial TOC concentrations of OPA were varied from 1.41 mmol/L to 19.57 mmol/L and the oxygen concentrations were varied from 15.03 mmol/L to 81.85 mmol/L. Experimental data showed that all the TOC conversions were > 80% under the above experimental conditions. /Isopropylamine and isopropyl alcohol mixture/ [Veriansyah B et al; J Environ Sci Health A Tox Hazard Subst Environ Eng 41(8):1559-68 (2006). Available from, as of September 4, 2009:] PubMed Abstract
UN 1221
【Fire Fighting Procedures】
This chemical is a flammable liquid. Poisonous gases including nitrogen oxides and hydrogen cyanide are produced in fire. Use dry chemical, carbon dioxide, or foam extinguishers. Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire. Containers may explode in fire. Storage containers and parts of containers may rocket great distances, in many directions. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors or shows any digns of deforming), withdraw immediately to a secure position.
Use dry chemical, alcohol resistant foam, carbon dioxide, or water spray. Water may be ineffective. Use water spray to keep fire-exposed containers cool. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products.
Wear special protective clothing and positive pressure self-contained breathing apparatus.
【Fire Potential】
Flammable liquid. Vapors are heavier than air and may travel to a source of ignition and flash back. Combustion by-products include oxides of nitrogen.
Very dangerous fire hazard and moderate explosion hazard when exposed to sparks, heat, flame, or oxidizers. Can react vigorously with oxidizing materials.
High volatility, low flash point, and relatively low ignition temp produce high potential fire ... hazard.
【DOT Emergency Guidelines】
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Fire or Explosion: Flammable/combustible materials. 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 ... 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 is recommended for fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Evacuation: ... 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.
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Fire: Some of these materials may react violently with water. Small fires: Dry chemical, CO2, water spray or alcohol-resistant foam. Large fires: Water spray, fog or alcohol-resistant foam. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Do not get water inside containers. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders 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 engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Spill or Leak: Fully encapsulating, vapor protective clothing should be worn for spills and leaks with no fire. 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 with earth, sand or other non-combustible material and transfer to containers ... Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces.
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.
【Reactivities and Incompatibilities】
Reacts with acids, aldehydes, ketones, epoxides, and oxidizing agents.
Strong acids, strong oxidizers, aldehydes, ketones, epoxides.
Incompatible with 1-chloro-1,3-epoxypropane.
Reacts with perchloryl fluoride to form an explosive liquid.
With slow mixing /with chloromethyloxirane/ and adequate cooling, smooth condensation to 1-chloro-3-isopropylamino-2-propanol occurs. With rapid mixing and poor cooling, a variable induction period with slow warming precedes a rapid, violent exotherm (to 350 deg C in 6 sec).
Interaction /with perchlorylfluroide/ , in presence of diluent below 0 deg C, with isopropylamine or isobutylamine caused separation of explosive liquids ... . In absence of diluents, contact with most aliphatic or non-aromatic heterocylic amines often leads to uncontrolled oxidation and/or explosions.
Reacts with perchloryl fluoride to form an explosive liquid.
【Other Preventative Measures】
If isopropylamine contacts the skin, workers should flush the affected areas immediately with plenty of water, followed by washing with soap and water. Clothing contaminated with isopropylamine should be removed immediately, and provisions should be made for the safe removal of the chemical from the clothing. Persons laundering the clothes should be informed of the hazardous properties of isopropylamine, particularly its potential for causing dermal and respiratory irritation. A worker who handles isopropylamine should thoroughly wash hands, forearms, and face with soap and water before eating, using tobacco products, using toilet facilities, applying cosmetics, or taking medication. Workers should not eat, drink, use tobacco products, apply cosmetics, or take medication in areas where isopropylamine or a solution containing isopropylamine is handled, processed, or stored.
Any chemical-resistant clothing that is used should be periodically evaluated to determine its effectiveness in preventing dermal contact. Safety showers and eye wash stations should be located close to operations that involve isopropylamine.
Splash-proof chemical safety goggles or face shields (20 to 30 cm long, minimum) should be worn during any operation in which a solvent, caustic, or other toxic substance may be splashed into the eyes.
In addition to the possible need for wearing protective outer apparel (e.g., aprons, encapsulating suits), workers should wear work uniforms, coveralls, or similar full-body coverings that are laundered each day. Employers should provide lockers or other closed areas to store work and street clothing separately. Employers should collect work clothing at the end of each work shift and provide for its laundering. Laundry personnel should be informed about the potential hazards of handling contaminated clothing and instructed about measures to minimize their health risk.
Protective clothing should be kept free of oil and grease and should be inspected and maintained regularly to preserve its effectiveness.
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. Do not use water on material itself. Neutralize spilled material with crushed limestone, soda ash, or lime.
Avoid breathing vapors. Keep upwind ... Avoid bodily contact with the material ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
SRP: Operations involving entry into tanks or closed vessels, and emergency situations, require consideration of potentially oxygen deficient, or "immediately dangerous to life and health" IDLH environments. This may necessitate use of a self-contained breathing apparatus (SCUBA), or a positive pressure supplied air respirator.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet should be immediately removed due to its flammability hazard (ie, for liquids with a flash point
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.
【Protective Equipment and Clothing】
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection.
Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.]
Workers should use appropriate personal protective clothing and equipment that must be carefully selected, used, and maintained to be effective in preventing skin contact with isopropylamine. The selection of the appropriate personal protective equipment (PPE) (e.g., gloves, sleeves, encapsulating suits) should be based on the extent of the worker's potential exposure to isopropylamine. The resistance of various materials to permeation by isopropylamine is shown in the table. Personal Protective Equipment Materials for Isopropylamine Material Breakthrough Time (hr) Teflon >4 Butyl rubber 1-4 (CAUTION) Natural rubber, neoprene, nitrile rubber, polyvinyl chloride, viton <1 hr (NOT RECOMMENDED)
Respirator Recommendations: Up to 125 ppm Assigned Protection Factor (APF) Respirator Recommendation APF = 25 Any supplied-air respirator operated in a continuous-flow mode. Substance causes eye irritation or damage; eye protection needed. APF = 25 Any powered, air-purifying respirator with cartridge(s) providing protection against the compound of concern. Substance causes eye irritation or damage; eye protection needed.
Respirator Recommendations: Up to 250 ppm Assigned Protection Factor (APF) Respirator Recommendation APF = 50 Any chemical cartridge respirator with a full facepiece and cartridge(s) providing protection against the compound of concern. APF = 50 Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted canister providing protection against the compound of concern. APF = 50 Any powered, air-purifying respirator with a tight-fitting facepiece and cartridge(s) providing protection against the compound of concern. causes eye irritation or damage; eye protection needed. APF = 50 Any self-contained breathing apparatus with a full facepiece. APF = 50 Any supplied-air respirator with a full facepiece.
Respirator Recommendations: Up to 750 ppm Assigned Protection Factor (APF) Respirator Recommendation APF = 2000 Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode.
Respirator Recommendations: Emergency or planned entry into unknown concentrations or IDLH conditions: Assigned Protection Factor (APF) Respirator Recommendation APF = 10,000 Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. APF = 10,000 Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus.
Respirator Recommendations: Escape conditions: Assigned Protection Factor (APF) Respirator Recommendation APF = 50 Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted canister providing protection against the compound of concern/Any appropriate escape-type, self-contained breathing apparatus.

? Isopropylamine ,?its cas register number is 75-31-0. It also can be called?1-Methylethylamine ; 2-Amino-propaan ; 2-Amino-propano ; 2-Aminopropan ; 2-Aminopropane ; Isopropilamina?; Isopropylamine ; Monoisopropylamine ; Propanal, 2-amino- ; Propane, 2-amino- ; sec-Propylamine .

【Octanol/Water Partition Coefficient】
log Kow = 0.26

?Isopropylamine (CAS NO.75-31-0) can be obtained by aminating isopropyl alcohol with ammonia in presence of a nickel/copper or similar catalyst:

(CH3)2CHOH + NH3 → (CH3)2CHNH2 + H2O

【Disposal Methods】
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity 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 quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.
... May be disposed of by atomizing in a suitable combustion chamber equipped with an appropriate effluent gas cleaning device.
Incineration: Incinerate in a suitable combustion chamber with an afterburner and scrubber.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

Reaction of isopropyl alcohol with ammonia in the presence of a dehydrating catalyst
Preparation from from acetone and ammonia ... From acetone oxime.
From acetone and ammonia under pressure.
U.S. Production

(1972) Probably greater than 4.54x10+5 g
(1975) Probably greater than 1.36x10+6 g
(1984) 2.17X10+10 g
2-Propanamine is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).
Production volumes for non-confidential chemicals reported under the Inventory Update Rule. Year Production Range (pounds) 1986 >50 million - 100 million 1990 >50 million - 100 million 1994 >50 million - 100 million 1998 >100 million - 500 million 2002 >100 million - 500 million
Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: 2-Propanamine. Aggreated National Production Volume: 100 to
Consumption Patterns

54% as an int for the herbicides prometone, prometryne, propazine, andsancap; 20% as an int for surface active agents incl dodecylbenzenesulfonic acid, isopropylamine salt; 14% as an int for rubber chems; and 12% used in misc applications (1965)
【Sampling Procedures】
NIOSH Method S147. Analyte: Isopropylamine. Matrix: Air. Procedure: bubbler collection in dilute sulfuric acid. Flow Rate: 1 l/min. Sample Size: 100 liters.

Biomedical Effects and Toxicity

【Pharmacological Action】
Inhalation causes nose and throat irritation, severe coughing, and chest pain due to irritation of air passages; can cause lung edema and loss of consciousness. Ingestion causes nausea, salivation and severe irritation of mouth and stomach. Contact with eyes causes severe irritation and possible edema of the cornea. Contact with skin causes severe irritation.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
The rate constant for the vapor-phase reaction of isopropylamine with photochemically-produced hydroxyl radicals has been estimated as 3.9X10-11 cu cm/molecule-sec at 25 deg C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 9.8 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Isopropylamine is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Isopropylamine does not contain chromophores that absorb at wavelengths >290 nm(3) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

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