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Triisopropanolamine

Triisopropanolamine structure

Triisopropanolamine 

structure
  • CAS No:

    122-20-3

  • Formula:

    C9H21NO3

  • Chemical Name:

    Triisopropanolamine

  • Synonyms:

    2-Propanol,1,1′,1′′-nitrilotris-;2-Propanol,1,1′,1′′-nitrilotri-;1,1′,1′′-Nitrilotris[2-propanol];Triisopropanolamine;Tri-iso-propanolamine;Tris(2-hydroxypropyl)amine;Tris(2-hydroxy-1-propyl)amine;1,1′,1′′-Nitrilotri-2-propanol;Tris(2-propanol)amine;Tri-2-propanolamine;TIPA;NTP;NSC 4010;CBA (aminoalcohol);CBA;1-[Bis(2-hydroxypropyl)amino]propan-2-ol;2488591-40-6

  • Categories:

    Cosmetic Ingredient  >  Buffering

Description

white to slightly yellow crystalline low Triisopropanolamine is a corrosive and hygroscopic solid.White solid with slight odor of ammonia. Denser than water .


Triisopropanolamine is a white solid with slight odor of ammonia. Denser than water .|Liquid|WHITE HYGROSCOPIC CRYSTALS.


Triisopropanolamine is a white solid with slight odor of ammonia. Denser than water .|Triisopropanolamine is an amino alcohol.

Triisopropanolamine Basic Attributes

191.27

191.27

204-528-4

W9EN9DLM98

0592

4010

3259

DTXSID5021415

Crystalline, white solid|Solid at 25 °C

2922 19 00

Characteristics

63.9

log Kow = -0.015

White to slightly yellow Crystalline Low Melting Solid

1.0 g/cm3

45 °C

306 °C

160 °C

1.4200 (estimate)

H2O: soluble

Store below +30°C.

1 hPa (100 °C)

Relative vapor density (air = 1): 6.6

LD50 orally in Rabbit: 4000 mg/kg LD50 dermal Rabbit 10000 mg/kg

0.8-5.8%(V)

pH = 10.83

Henry's Law constant = 9.8X10-12 atm-cu m/mole at 25 °C (est)

pKa = 8.06 /tertiary amine/

Mild base|Hydroxyl radical reaction rate constant = 1.2X10-10 cu cm/molec-sec at 25 °C (est)

Water soluble

Alcohols and Polyols

TRIISOPROPANOLAMINE neutralizes acids to form salts plus water in exothermic reactions. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by combination with strong reducing agents, such as hydrides.

608 °F (USCG, 1999)|608 °F (320 °C)|320 °C

Lower flammable limit: 0.8% by volume; Upper flammable limit: 5.8% by volume

Dust explosion possible if in powder or granular form, mixed with air.

Safety Information

III

UN 3259 8/PG 2

1

36-52/53

26-61

UB8750000

Xi

P273-P305 + P351 + P338

H319-H412

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.

Triisopropanolamine is an indirect food additive for use only as a component of adhesives.

Special Hazards of Combustion Products: Toxic fumes containing carbon monoxide, and/or carbon dioxide, and oxides of nitrogen. Behavior in Fire: Toxic fumes containing carbon monoxide, and/or carbon dioxide, and oxides of nitrogen. (USCG, 1999)|Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.

|Warning|H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|H319 (98.78%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, and P501|Aggregated GHS information provided by 1808 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Neutralizing Agents for Acids and Caustics: Flush heavily with water. (USCG, 1999)

Clean, body-covering clothing, rubber gloves, apron, boots, and face shield as dictated by circumstances. Approved, full-face mask or amine vapor mask only if required during a fire. (USCG, 1999)

Combustible when exposed to heat or flame.

Explosion limits, vol%: 0.8 - 5.8|Explosive limits , vol% in air: 0.8-5.8

To fight fire, use alcohol foam, water, CO2, dry chemical.

SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits 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.

A severe eye irritant.|MODERATELY IRRITANT TO SKIN & EYES. /TRIISOPROPANOLAMINES/

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Remove all ignition sources. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Separated from strong oxidants, strong acids and food and feedstuffs. Dry.

Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying or when dispersed, especially if powdered.

The substance is severely irritating to the eyes. The substance is irritating to the skin and respiratory tract.

NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust. Prevent build-up of electrostatic charges (e.g., by grounding).

Use breathing protection.

Protective gloves.

Wear safety goggles.

| 3 - Materials that, under emergency conditions, can cause serious or permanent injury.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Toxicity

LD50 Mouse oral 2520 mg/kg|LD50 Rat oral 4730 mg/kg|LD50 Guinea pig oral 1080 mg/kg|LD50 Rabbit oral 11,000 mg/kg

Triisopropanolamine's production and use as a crosslinking agent for coatings, emulsifiers and surfactants, and use as a chemical intermediate(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that triisopropanolamine is expected to have very high mobility in soil(SRC). The pKa of triisopropanolamine is 8.06(3), indicating that this compound will partially exist in cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of triisopropanolamine from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 9.8X10-12 atm-cu m/mole(SRC), using a fragment constant estimation method(2). Triisopropanolamine is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.75X10-6 mm Hg at 25 °C(4). Triisopropanolamine was found to be not readily biodegradable using the Japanese MIT test where triisopropanolamine had only a 3.4% BODT after 4 weeks(5). However, the results of other ready, inherent and simulation tests have indicated that triisopropanolamine is readily susceptible to biodegradation with CO2 the dominant degradation product under aerobic conditions(3). One soil metabolism study found a triisopropanolamine half-life of approximately 2 days(3,4).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that triisopropanolamine is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 9.8X10-12 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). According to a classification scheme(4), a BCF value of <0.57 in carp fish(5) suggests the potential for bioconcentration in aquatic organisms is low(SRC). Triisopropanolamine was found to be not readily biodegradable using the Japanese MIT test where triisopropanolamine had only a 3.4% BODT after 4 weeks(6). However, the results of other ready, inherent and simulation tests have indicated that triisopropanolamine is readily susceptible to biodegradation with CO2 the dominant degradation product under aerobic conditions(7). In a lake water-sediment batch study, triisopropanolamine had a half-life of 14.3 days with 62% mineralization to CO2(7). Triisopropanolamine is expected to be stable to aqueous hydrolysis in the environment(8).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), triisopropanolamine, which has a vapor pressure of 9.75X10-6 mm Hg at 25 °C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase triisopropanolamine 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 about 3 hours(SRC), calculated from its rate constant of 1.2X10-10 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase triisopropanolamine may be removed from the air by wet or dry deposition(SRC). Triisopropanolamine absorbs light at wavelengths >290 nm(2) and may be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of triisopropanolamine with photochemically-produced hydroxyl radicals has been estimated as 1.2X10-10 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 3 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Triisopropanolamine is expected to be stable to aqueous hydrolysis in the environment(2). Triisopropanolamine absorbs light at wavelengths >290 nm(3) and may be susceptible to direct photolysis by sunlight(SRC).

0.58|During a 6 week period using carp fish (Cyprinus carpio), BCF values of <0.06 and <0.57 were measured for triisopropanolamine at respective concentrations of 2.5 and 0.25 mg/L(1). According to a classification scheme(2), these BCF values suggest the potential for bioconcentration in aquatic organisms is low(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of triisopropanolamine can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that triisopropanolamine is expected to have very high mobility in soil. The pKa of triisopropanolamine is 8.06(3), indicating that this compound will partially exist in cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).

The Henry's Law constant for triisopropanolamine is estimated as 9.8X10-12 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that triisopropanolamine is expected to be essentially nonvolatile from water surfaces(2). Triisopropanolamine's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Triisopropanolamine acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.75X10-6 mm Hg at 25 °C(3).

According to the 2006 TSCA Inventory Update Reporting data, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use of triisopropanolamine is 1 to 99; the data may be greatly underestimated(1).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 64,304 workers (8,631 of these are female) are potentially exposed to triisopropanolamine in the US(1). The most likely route of occupational exposure to triisopropanolamine is the dermal route, but inhalation exposure to aerosols is also possible(2). Because triisopropanolamine, or triisopropanolamine-derived fatty acid soaps and salts may be used in a wide variety of personal care products, the most likely route of consumer exposure to triisopropanolamine in these products would be via the dermal route(2).

Drug Information

Irritation of eyes and skin. May cause slight corneal injury or burn. Repeated contact may cause skin burn. Heated vapor may cause moderate respiratory irritation. Low to moderately toxic by oral routes. (USCG, 1999)

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. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)


Fresh air, rest. Half-upright position. Refer for medical attention.


Rinse skin with plenty of water or shower.


Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer immediately for medical attention.

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

TiPlA

Sore throat. Cough. Burning sensation. Shortness of breath.


Redness.


Redness. Pain. Burns.

Triisopropanolamine Use and Manufacturing

Methods of Manufacturing

Use liquid ammonia and propylene oxide as raw materials, use water as a catalyst, prepare according to the molar ratio of liquid ammonia and propylene oxide at 1:3.00~3.05, add deionized water at one time, the amount of which ensures the concentration of ammonia water is 28-60% ; Liquid ammonia and propylene oxide are divided into two feeds, each time adding half the amount of liquid ammonia, maintaining the temperature of 20 ~ 50 ℃, then slowly adding half the amount of propylene oxide, fully stirred, and maintain the pressure in the kettle Below 0.5MPa, the reaction temperature is 20~75℃, maintained for 1.0~3.0 hours; after the addition of propylene oxide is completed, the temperature of the reaction kettle is controlled at 20~120℃, and the reaction is continued for 1.0~3.0 hours. Less than 5%, get triisopropanolamine product. The method can effectively produce monoisopropanolamine and diisopropanolamine, the process is simple, and the investment cost is low.

Uses

Triisopropanolamine is used as an emulsifying agent. Emulsifying agents.


Adhesives and sealant chemicals


Building/construction materials not covered elsewhere

Production

10,000,000 - 50,000,000 lb|2-Propanol, 1,1',1''-nitrilotris- 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. [Table#5453]|Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: 2-Propanol, 1,1',1''-nitrilotris-. Aggregated National Production Volume: 10 to < 50 million pounds.

USEPA/OPP Pesticide Code 004209; Trade Names: None listed.|Grade: Technical

Construction|2-Propanol, 1,1',1''-nitrilotris-: ACTIVE|All isopropanolamines have at least one asymmetrically substituted carbon atom and thus can be optically active. The commercial products are racemic mixtures. /Isopropanolamines/

Cosmetics -> Buffering

Computed Properties

Molecular Weight:191.27
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:191.15214353
Monoisotopic Mass:191.15214353
Topological Polar Surface Area:63.9
Heavy Atom Count:13
Complexity:108
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Price Analysis

Make your Triisopropanolamine purchase based on the price and market insights! ECHEMI provides professional market insights with prices for you to make a better choice. Learn more on Triisopropanolamine prices .

Drug Function and Efficacy

Triisopropanolamine is used primarily as a pH adjuster and stabilizer in cosmetic and pharmaceutical formulations, helping to maintain the desired acidity or alkalinity of the product.

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

Related Drugs

Recommended Suppliers of Triisopropanolamine

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