Phosphoric acid, diisooctyl ester
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Phosphoric acid, diisooctyl ester
structure -
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CAS No:
27215-10-7
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Formula:
C16H35O4P
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Chemical Name:
Phosphoric acid, diisooctyl ester
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Synonyms:
Phosphoric acid,diisooctyl ester;Isooctanol,hydrogen phosphate;Isooctyl phosphate ((C8H17O)2(HO)PO);Diisooctyl phosphate;30556-15-1
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CAS No:
Description
Diisooctyl acid phosphate is a colorless liquid. It will burn though it may require some effort to ignite. It is corrosive to metals and tissue.
Diisooctyl acid phosphate is a colorless liquid. It will burn though it may require some effort to ignite. It is corrosive to metals and tissue.
Phosphoric acid, diisooctyl ester Basic Attributes
322.42 g/mol
322.22729659 g/mol
248-334-8
9Y2611J224
1902
Liquid
Characteristics
55.8 Ų
log Kow = 6.07 (est)
In water, 5.9X10-2 mg/L at 25 °C (est)
4.7X10-8 mm Hg at 25 °C (est)
Henry's Law constant = 4.1X10-8 atm-cu m/mol at 25 °C (est)
pKa = 0.89 (est)
Not decomposed by air, water, or heat but will decompose if exposed to strong oxidizers. Insoluble in water. Specific gravity = 1.02 at 31 °C/4 °C. /Mobil 151/|Hydroxyl radical reaction rate constant = 6.4X10-11 cu cm/molec-sec at 25 °C (est)
No rapid reaction with air. No rapid reaction with water.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
DIISOOCTYL ACID PHOSPHATE is an organophosphate ester, and behaves as an acid. Organophosphates are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
Corrosive
Safety Information
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 quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2016)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. 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. (ERG, 2016)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2016)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: 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 ONLY; it is not effective in spill situations where direct contact with the substance is possible. (ERG, 2016)|Personnel protection: ... Wear positive pressure self-contained breathing apparatus when fighting fires involving this material. ...
If material on fire or involved in fire: Use dry chemical, dry sand, or carbon dioxide. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible Do not use water on material itself. If large quantities of combustibles are involved, use water in flooding quantities as spray and fog. Use water spray to knock-down vapors.
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. Use water spray to knock-down vapors. Do not use water on material itself. Neutralize spilled material with crushed limestone, soda ash, or lime.|Personnel protection: 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. ... If contact with the material anticipated, wear appropriate chemical protective clothing.|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.
/GUIDE 153: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.|/GUIDE 153: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible)/ Health: TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.|/GUIDE 153: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible)/ 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 in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.|/GUIDE 153: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible)/ 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 ONLY; it is not effective in spill situations where direct contact with the substance is possible.|For more DOT Emergency Guidelines (Complete) data for DIISOOCTYL PHOSPHATE (8 total), please visit the HSDB record page.
No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.
...Strong irritant to skin & eyes.
Toxicity
Diisooctyl phosphate's production and use as a curing agent, in leather tanning, and as a rust inhibitor(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 1.4X10+4(SRC), determined from a structure estimation method(2), indicates that diisooctyl phosphate is expected to be immobile in soil(SRC). The estimated pKa of diisooctyl phosphate is 0.89(3), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of diisooctyl phosphate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.1X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(5). Diisooctyl phosphate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.7X10-8 mm Hg(SRC), determined from a fragment constant method(6). Biodegradation data were not available(SRC, 2006).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1.4X10+4(SRC), determined from a structure estimation method(2), indicates that diisooctyl phosphate is 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 4.1X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). The estimated pKa of diisooctyl phosphate is 0.89(5), indicating that this compound will primarily exist as an anion in the environment and anions generally do not adsorb more strongly to organic carbon than their neutral counterparts(6). The sorption of organophosphorus compounds in soil depends on both organic matter and clay content of soil and the sorption increases as the pH of soil decreases(7), therefore, adsorption to suspended solids and sediments is expected to be pH dependent. According to a classification scheme(8), an estimated BCF of 49(SRC), from an estimated log Kow of 6.07(9) and a regression-derived equation(10), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).Biodegradation data were not available(SRC, 2006).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diisooctyl phosphate, which has an estimated vapor pressure of 4.7X10-8 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase diisooctyl phosphate may be removed from the air by wet or dry deposition(SRC). Diisooctyl phosphate does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
The rate constant for the vapor-phase reaction of diisooctyl phosphate with photochemically-produced hydroxyl radicals has been estimated as 6.4X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 6.0 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Diisooctyl phosphate may be susceptible to hydrolysis in the environment due to the presence of functional groups (esters) that hydrolyze under environmental conditions(2). The hydrolysis half-life of the analog dimethyl phosphoric acid in neutral solution at 100 °C was found to be 2.4 days(3). Increasing the carbon chain substituent on phosphoric acid (as in the case of diisooctyl phosphate) may not increase the rate of hydrolysis(3). Diisooctyl phosphate does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
An estimated BCF of 49 was calculated for diisooctyl phosphate(SRC), using an estimated log Kow of 6.07(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC), provided the compound is not metabolized by the organism(SRC).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of diisooctyl phosphate can be estimated to be 1.4X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that diisooctyl phosphate is expected to be immobile in soil. The estimated pKa of diisooctyl phosphate is 0.89(3), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(4). The sorption of organophosphorus compounds in soil depends on both organic matter and clay content of soil and the sorption increases as the pH of soil decreases(5).
The Henry's Law constant for diisooctyl phosphate is estimated as 4.1X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that diisooctyl phosphate is expected to be essentially nonvolatile from water surfaces(2). Diisooctyl phosphate's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected(SRC). Diisooctyl phosphate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.7X10-8 mm Hg(SRC), determined from a fragment constant method(3).
Occupational exposure to diisooctyl phosphate may occur through dermal contact with this compound at workplaces where diisooctyl phosphate is produced or used. (SRC)
Drug Information
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)|Corrosives
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. 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. For minor skin contact, avoid spreading material on unaffected skin. Keep victim calm and warm. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. (ERG, 2016)
/SRP:/ Basic treatment: Establish a patent airway. 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 normal saline 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 ... . /Poison 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 respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
Phosphoric acid, diisooctyl ester Use and Manufacturing
In curing of urea-formaldehyde resin, rust inhibitors, mold lubricants, antistatic agents for non-cellulose fibers, leather tanning, prevent coagulation plus tanning agent, bringing reclaimed rubber to workable viscosity, soldering flux, wetting agents for cutback asphalt, flameproofing plasticizers.
(1977) NOT PRODUCED COMMERCIALLY IN US|(1979) NOT PRODUCED COMMERCIALLY IN US|(1986) 10 thousand-500 thousand pounds|(1990) 10 thousand-500 thousand pounds|For more U.S. Production (Complete) data for DIISOOCTYL PHOSPHATE (6 total), please visit the HSDB record page.
60:40% mixture of di/mono octyl phosphate esters /Mobil 151/
Phosphoric acid, diisooctyl ester: ACTIVE
Health Hazards -> Corrosives
Computed Properties
Molecular Weight:322.42
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:322.22729659
Monoisotopic Mass:322.22729659
Topological Polar Surface Area:55.8
Heavy Atom Count:21
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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