Tetrakis(hydroxymethyl)phosphonium sulfate
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Tetrakis(hydroxymethyl)phosphonium sulfate
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CAS No:
55566-30-8
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Formula:
C4H12O4P.1/2O4S
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Chemical Name:
Tetrakis(hydroxymethyl)phosphonium sulfate
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Synonyms:
Phosphonium,tetrakis(hydroxymethyl)-,sulfate (2:1);Phosphonium,tetrakis(hydroxymethyl)-,sulfate (2:1) (salt);Tetrakis(hydroxymethyl)phosphonium sulfate;Pyroset TKO;THPS;Octakis(hydroxymethyl)diphosphonium sulfate;THPS 75;Bis[tetrakis(hydroxymethyl)phosphonium] sulfate;Retardol S;Proban NX;Tolcide PS;Tolcide PS 75;Tolcide PS 200;Tolcide;Magnacide 575;Bis[tetra(hydroxymethyl)phosphonium] sulfate;Aqucar THPS 75;Pyroset TKOW;Tolcide 20A;Tolcide 70A;Eccoshield FR 101;Bricorr 75;Odycide B 320;58591-11-0;65257-04-7;1497435-72-9
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CAS No:
Description
Tetrakis(hydroxymethyl)phosphonium sulfate is a clear colorless viscous liquid. (NTP, 1992)|DryPowder; Liquid
Tetrakis(hydroxymethyl)phosphonium sulfate is a clear colorless viscous liquid. (NTP, 1992)
Tetrakis(hydroxymethyl)phosphonium sulfate Basic Attributes
252.18000
252.00700
259-709-0
5I8RSL9E6S
DTXSID0021331
Crystalline solid
2931900090
Characteristics
180.32000
-1.11140
Tetrakis(hydroxymethyl)phosphonium sulfate is a clear colorless viscous liquid. (NTP, 1992)
1.41 g/cm3 @ Temp: 20 °C
-35ºC
111ºC
96ºC
In water, 1X10+6 mg/L /miscible/ at 25 deg C (est)
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition so
8.12 mm Hg at 25 deg C (est)
Henry's Law constant = 1.7X10-23 atm-cu m/mol at 25 °C (est)
When heated to decomposition it emits toxic fumes of POx and SOx.|Clear colorless viscous liquid. Formula: C8H24O12P2S. Formula Mass: 406.27; MP: -35.0 °C; BP: 111 °C; VP: 32 mm Hg; Density: 1.381 g/cu cm at 20 °C /Pyroset TKO/|Hydroxyl radical reaction rate constant = 2.73X10-11 cu cm/molecule-sec at 25 °C (est)
Water soluble.
Quaternary Ammonium and Phosphonium Salts
TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM SULFATE is incompatible with oxidizing materials and alkalis. (NTP, 1992)
Safety Information
III
6.1(b)
UN 2922 8/PG 3
1
R22
S26; S36/37/39; S45
TA2570000
C
P260, P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P310, P314, P321, P330, P333+P313, P363, P405, P501
H301
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.|If excess AQUCAR THPS 75 Water Treatment Microbiocide cannot be used according to use instructions, it must be sent to an approved waste disposal facility. Because disposal regulations can vary by location, the regulatory authority for waste disposal in your location will need to be contacted for guidance. Do not dispose of this product by dumping into lakes, streams, ponds, estuaries, oceans, sewers, ditches, or into soil at any time. Dispose of unused product and contaminated soils as permitted by applicable government requirements. /AQUCAR THPS 75 Water Treatment Microbiocide/
Slimicides may be safely used in the manufacture of paper and paperboard that contact food, in accordance with the conditions prescribed at 21 CFR 173.300. Chemical: Tetrakis(hydroxymethyl)phosphonium sulfate. Limitation: Maximum use level of 84 mg/kg in the pulp slurry. The additive may also be added to water, which when introduced into the pulp slurry, results in a concentration in the pulp slurry not to exceed 84 mg/kg.
DHHS/NTP; Toxicology & Carcinogenesis Studies of Tetrakis(hydroxymethyl)phosphonium sulfate (THPS) and Tetrakis(hydroxymethyl)phosphonium chloride in F344/N Rats and B6C3F1 Mice (Gavage Studies) Technical Report Series No. 296 (1987) NIH Publication No. 87-2522
This chemical is probably combustible. (NTP, 1992)
|Danger|H301+H331 (11.5%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]|P201, P202, P261, P264, P270, P271, P272, P273, P280, P281, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P311, P321, P330, P333+P313, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 341 companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P310, P314, P321, P330, P333+P313, P363, P405, and P501
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
During a fire, containers can rupture and residues can burn. Smoke may contain the original material in addition to toxic and/or irritating compounds. Decomposition products depend upon temperature, air supply, and the presence of other materials. These decomposition products can include and are not limited to phosphines, phosphorus oxides, and sulfur oxides. Deny any unnecessary entry into the area and consider the use of unmanned hose holders. Isolate the fire. Firefighters should wear positive-pressure, selfcontained breathing apparatus (SCBA) and protective firefighting clothing. Use water fog or fine spray, dry-chemical or carbon-dioxide extinguishers, or foam to extinguish the fire. Contain fire-water run-off if possible to minimize the potential for environmental damage. When relevant in scale or risk, the community should be notified of the hazards associated with the specific release event. /AQUCAR THPS 75 Water Treatment Microbiocide/
Immediate actions: Have people leave the affected area immediately; A person familiar with your spill response plan should lead the cleanup; Do not re-renter the area without designated spill response personal protective equipment which should be assigned based on the hazards of THPS and protection below the occupational exposure limit ( 2 mg/cu m - 8 hour time weighted average). /AQUCAR THPS 75 Water Treatment Microbiocide/|General Clean Up Procedure: Cover the spill with appropriate inert material such as clay, sand or vermiculite; Collect material in appropriate container, rinse the remaining residue with water using additional absorbent to collect the waste. Repeat as needed until all spilled material and residue has been collected. Deactivate large spills prior to collection. Small spills may be deactivated after collection. Once collected, close containers and label for transit to an approved waste disposal facility. /AQUCAR THPS 75 Water Treatment Microbiocide/|The active ingredient in AQUCAR THPS 75 Water Treatment Microbiocide can be deactivated with alkaline sodium bisulfite. Use 1.36 kg (3 pounds) of sodium bisulfite (100% basis) to each 0.45 kg (1 pound) of AQUCAR THPS 75 Water Treatment Microbiocide to ensure complete deactivation. /AQUCAR THPS 75 Water Treatment Microbiocide/|Containers should be triple rinsed with water (or equivalent) and sent to an approved waste handling facility for disposal. Send waste liquid from cleaning of used containers to an approved waste handling facility. /AQUCAR THPS 75 Water Treatment Microbiocide/
Toxicity
LD50 Rat oral 248 mg/kg|LD50 Rat male oral 333 mg/kg bw|LC50 Rat inhalation 5.5 mg/L 4 hr
Toxicology and carcinogenesis studies of tetrakis(hydroxymethyl)phosphonium sulfate (THPS) and tetrakis(hydroxymethyl)phosphonium chloride (THPC) were conducted because of the widespread use of these chemicals as flame retardants in cotton fabrics. THPS was available as a 72% aqueous solution and THPC as a 75% aqueous solution. Two yr studies were conducted in F344/N rats by admin 0, 5, 10 mg/kg THPS or 0, 3.75 or 7.5 mg/kg THPC in deionized water by gavage to groups of 49 or 50 animals of each sex, 5 days/wk for 103 or 104 wk. Groups of 49 or 50 B6C3F1 mice were admin 0, 5 or 10 mg/kg THPS (each sex), 0, 7.5 or 15 mg/kg (males) or 0, 15 or 30 mg/kg THPC (females). ... Under the conditions of these 2 year gavage studies, there was no evidence of carcinogenicity of THPS in either sex of F344/N rats or B6C3F1 mice given 5 or 10 mg/kg. There was no evidence of carcinogenicity of THPC in either sex of F344/N rats given 3.75 or 7.5 mg/kg, in male B6C3F1 mice given 7.5 or 15 mg/kg, or in female B6C3F1 mice given 15 or 30 mg/kg.
Tetrakis(hydroxymethyl)phosphonium sulfate's production and use as a textile crease and flame retardant(1) may result in its release to the environment through various waste streams(SRC). Its use as a biocide in hydrfracking(2) will result in its direct release to the environment(SRC).
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 140(SRC), determined from a structure estimation method(2), indicates that tetrakis(hydroxymethyl)phosphonium sulfate is expected to have high mobility in soil(SRC). Volatilization of tetrakis(hydroxymethyl)phosphonium sulfate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.7X10-23 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Tetrakis(hydroxymethyl)phosphonium sulfate is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 8.1 mm Hg at 25 °C(SRC), determined from a fragment constant method(4). Biodegradation data in soil were not available(SRC, 2011).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 140(SRC), determined from a structure estimation method(2), indicates that tetrakis(hydroxymethyl)phosphonium sulfate 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 1.7X10-23 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of -20.39(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data in water were not available(SRC,2011).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tetrakis(hydroxymethyl)phosphonium sulfate, which has an estimated vapor pressure of 8.1 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 tetrakis(hydroxymethyl)phosphonium sulfate 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 4 hours(SRC), calculated from its rate constant of 2.7X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Tetrakis(hydroxymethyl)phosphonium sulfate 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).
The rate constant for the vapor-phase reaction of tetrakis(hydroxymethyl)phosphonium sulfate with photochemically-produced hydroxyl radicals has been estimated as 2.7X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 4 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Tetrakis(hydroxymethyl)phosphonium sulfate is expected to undergo hydrolysis in the environment due to the presence of functional groups that hydrolyze under environmental conditions(2). Tetrakis(hydroxymethyl)phosphonium sulfate does not contain chromophores that absorb at wavelengths >290 nm(2), and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
An estimated BCF of 3 was calculated in fish for tetrakis(hydroxymethyl)phosphonium sulfate, using an estimated log Kow of -20.39(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).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of tetrakis(hydroxymethyl)phosphonium sulfate can be estimated to be 140(SRC). According to a classification scheme(2), this estimated Koc value suggests that tetrakis(hydroxymethyl)phosphonium sulfate is expected to have high mobility in soil.
The Henry's Law constant for tetrakis(hydroxymethyl)phosphonium sulfate is estimated as 1.7X10-23 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that tetrakis(hydroxymethyl)phosphonium sulfate is expected to be essentially nonvolatile from water and moist soil surfaces(2). Tetrakis(hydroxymethyl)phosphonium sulfate is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 8.1 mm Hg(SRC), determined from a fragment constant method(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 tetrakis(hydroxymethyl)phosphonium sulfate is 1 to 99; the data may be greatly underestimated(1).
Drug Information
A metab study on rats has been conducted using 14C- radiolabelled THPS. THPS was not found in rat urine. However, three metabolites were present, identified as trihydroxymethyl phosphine oxide, bishydroxymethylphosphonic acid & possibly a formaldehyde adduct of the trihydroxy cmpd ... .
SYMPTOMS: Symptoms of exposure to this compound include hypotension and general poisoning. ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of phosphorous and sulfur oxides. Decomposition in an aqueous environment may produce phosphine and formaldehyde. (NTP, 1992)
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. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. 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. 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. Be prepared to transport the victim to a hospital if advised by a physician. 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. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
/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/
Tetrakis(hydroxymethyl)phosphonium sulfate Use and Manufacturing
THPS is manufactured in a batch process that involves the chemical reaction of phosphine gas with aqueous formaldehyde in the presence of sulfuric acid and water. THPS exists in equilibrium with tris (hydroxymethyl)phosphine and methylene glycol. Under manufacturing and shipping conditions, the equilibrium strongly favors the formation the formation of THPS.|REACTION OF FORMALDEHYDE WITH PHOSPHINE IN AQUEOUS SULFURIC ACID|The salts are produced by the reaction of formaldehyde with phospine in the appropriate aqueous acid. /Tetrakis(hydroxymethyl)phosphonium salts/
It is a green environmentally friendly quaternary phosphate bactericide and a permanent flame retardant for pure cotton and polyester-cotton fabrics internationally recognized
Corrosion inhibitors and anti-scaling agents
Drilling mud additive
10,000,000 - 50,000,000 lb|(1976) 1.13X10+9 GRAMS (CONSUMPTION)|Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4878]|Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Phosphonium, tetrakis(hydroxymethyl)-, sulfate. Aggregated National Production Volume: < 500,000 pounds.
Pyroset TKO; Retardol S|Aqucar THPS 75 Water Treatment Microbiocide (The Dow Chemical Company), Tetrakis(hydroxymethyl)phosphonium sulphate 76.5%.|Aqucar THPS 75MFG Water Treatment Microbiocide (The Dow Chemical Company), Tetrakis(hydroxymethyl)phosphonium sulphate 76.5%.|Cyphos B1 Phosphonium Salt (The Dow Chemical Co.), Tetrakis(hydroxymethyl)phosphonium sulphate 77.6%.|For more Formulations/Preparations (Complete) data for TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM SULFATE (16 total), please visit the HSDB record page.
All other petroleum and coal products manufacturing|Phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1): ACTIVE|THPC /tetrakis(hydroxymethyl) phosphonium chloride/ has been replaced by the sulfate salt THPS because of possible toxicity concerns with THPC, which is no longer manufactured.
Computed Properties
Molecular Weight:406.28
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:406.04637137
Monoisotopic Mass:406.04637137
Topological Polar Surface Area:251
Heavy Atom Count:23
Complexity:118
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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Tetrakis(hydroxymethyl)phosphonium sulfate
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