Phosphonic acid, dimethyl ester

HCID 13361CAS 868-85-9

Grundinformationen

Standard-SMILES
CO[PH](=O)OC
InChIKey
HZCDANOFLILNSA-UHFFFAOYSA-N
Summenformel
C2H7O3P
Durchschnittliche Molmasse
110,05 g/mol
Monoisotopische Masse
110,01328071

Überblick

Dimethyl hydrogen phosphite is a colorless liquid. (USCG, 1999)

Namen und Bezeichner

Bevorzugter Name
Phosphonic acid, dimethyl ester
IUPAC
methoxyphosphonoyloxymethane

Namen und Synonyme

RefChem:929181DTXCID20164557212-783-8868-85-9Bis(hydroxymethyl)phosphine oxideDimethoxyphosphine oxideDimethyl acid phosphiteDimethyl hydrogen phosphiteDimethyl hydrogen phosphonateDimethyl phosphiteDimethyl phosphonateDimethylester kyselini fosforite
Weitere Namen anzeigen
Dimethylester kyseliny fosforiteDimethylfosfitDimethylfosfonatDimethylhydrogenphosphiteDimethylphosphonateDTXCID10493DTXSID20242066DTXSID5020493

Datenbank-Bezeichner

CAS
868-85-9、96-36-6
PubChem CID
13361
DTXSID
DTXSID5020493
EC Number
212-783-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,5
Polarare Oberfläche (TPSA)
35,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phosphite Compounds
LogP-1.2
OdorMild odor
Density · 4 Einträge

1.2 (USCG, 1999) - Denser than water; will sink

1.2002 g/cu cm at 20 °C

Relative density (water = 1): 1.2

1.2 @25 °C

Viscosity1.06 centistokes at 25 °C
Color/FormMobile, colorless liquid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H226 (71.8%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P272, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P316, P318, P321, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 627 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H227: Combustible liquid [Warning Flammable liquids]

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Phosphonic acid, dimethyl ester

Hazard Traits - Carcinogenicity

Phosphonic acid, dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, dimethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30190

Phosphonic acid, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phosphonic acid, dimethyl ester: Human health tier I assessment
DOT LabelPoison
Fire Hazards · 2 Einträge

Special Hazards of Combustion Products: Emits toxic fumes under fire conditions. (USCG, 1999)

Combustible. Above 70 °C explosive vapour/air mixtures may be formed.

Health HazardsHarmful if swallowed, inhaled or absorbed through skin. Exposure can cause nausea, headache and vomiting. Vapor irritating to eyes, mucous membrane and upper respiratory tract. (USCG, 1999)
Hazards Summary · 1 Eintrag

A skin, eye, mucous membrane, and respiratory tract irritant; [CAMEO] A skin and eye irritant; The substance may have effects on the eyes, resulting in cataract. [ICSC] An irritant; Can be absorbed through skin; Effects in high-dose animal studies include injury to the liver, kidney, cornea, and bone structure; [MSDSonline]

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Fire Extinguishing Agents Not to Be Used: Water may be ineffective.

Use foam, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water. Combat fire from a sheltered position.

First Aid Measures · 4 Einträge

Fresh air, rest. Refer for medical attention.

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

First Aid · 1 Eintrag

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.

Safe StorageDry. Store in an area without drain or sewer access. Separated from food and feedstuffs. See Chemical Dangers.
Nonfire Spill ResponseNeutralizing Agents for Acids and Caustics: Dry lime, soda ash (USCG, 1999)
Disposal Methods · 1 Eintrag

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.

Toxikologische Informationen

Ecotoxicity ValuesLC50; Species: Pimephales promelas (Fathead minnow); Conditions: freshwater; static; Concentration: 225000 ug/L for 4 days/formulated product/
Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Adsorption to soil, volatilization from moist soil surfaces, and biodegradation are not expected to be important fate processes due to the hydrolysis of dimethyl hydrogen phosphite(SRC). Hydrolysis occurs under both acidic and basic conditions(1). Final hydrolysis products include methanol and phosphorous acid or its salts(1). In neutral water, dimethyl hydrogen phosphite was reported to hydrolyze completely within 144 hours; the half-life is in the range of 50 to 70 hours(2). Hydrolysis half-lives of 10 days at 25 °C and 19 days at 20 °C have also been reported for dimethyl hydrogen phosphite(3). Basic conditions speed the hydrolysis(4). Dimethyl hydrogen phosphite may leach, possibly reaching groundwater where it will hydrolyze completely(SRC). Dimethyl hydrogen phosphite is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.5 mm Hg(1).

AQUATIC FATE: Hydrolysis occurs under both acidic and basic conditions(1). Final hydrolysis products include methanol and phosphorous acid or its salts(1). In neutral water dimethyl hydrogen phosphite was reported to hydrolyze completely within 144 hours; the half-life is in the range of 50 to 70 hours(2). Hydrolysis half-lives of 10 days at 25 °C and 19 days at 20 °C have also been reported for dimethyl hydrogen phosphite(3). Basic conditions speed the hydrolysis(4). Adsorption to suspended solids and sediment, volatilization from water surfaces, bioconcentration, and biodegradation are not expected to be important fate processes due to the rapid hydrolysis of dimethyl hydrogen phosphite(SRC). The ethyl homologue of dimethyl hydrogen phosphite has been reported to photolyze in water(5) indicating that dimethyl hydrogen phosphite may also photolyze(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dimethyl hydrogen phosphite, which has a vapor pressure of 1.5 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dimethyl hydrogen phosphite 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 3.2 days(SRC), calculated from its rate constant of 5.08X10-12 cu cm/molecule-sec at 25 °C(3). Dimethyl hydrogen phosphite does not absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(5).

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4 Einträge

Cough. Nausea. Sore throat.

MAY BE ABSORBED! Redness. Pain.

Redness. Pain.

Diarrhoea. Nausea. Vomiting.

Ongoing Test Status · 1 Eintrag

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=868-85-9]

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

In vitro, DMHP was metabolized to formaldehyde by the microsomal fractions of liver, lungs, kidneys, forestomach, and glandular stomach. In vivo, DMHP was metabolized to the product of demethylation, monomethyl hydrogen phosphite (MMHP), which was excreted in urine. Results of this study indicate that the NTP carcinogenicity study with DMHP was carried out within the dose range in which the absorption, metabolism, and disposition of DMHP are linear in both species.

Absorption, Distribution and Excretion · 1 Eintrag

A study of dimethyl hydrogen phosphite (DMHP) by the National Toxicology Program (NTP) indicated that chronic administration by oral gavage resulted in an increased incidence of neoplastic lesions in the lungs and forestomachs of Fischer 344 rats but not in B6C3F1 mice. The current study was designed to evaluate the metabolic basis, if any, of this species selectivity by studying the metabolism and disposition of carbon-14-DMHP in the respective strains of rats and mice. Results of this study indicate that DMHP administered at a range of dose of 10-200 mg/kg was readily and near completely absorbed from the gastrointestinal tracts of rats and mice. DMHP-derived radioactivity was eliminated primarily as CO2 in the expired air, 44-57%, and urine, 28-49%, and very little was collected in feces, 1-2%, or as volatile organics, 2-3%. DMHP-derived radioactivity was widely distributed in tissues of rats and mice, with the highest concentrations observed in the liver, kidneys, spleen, lungs, and forestomach, and the lowest in brain, skeletal muscle, and adipose tissue. The disappearance of radioactivity from mouse tissues was approximately twice as rapid as from rat tissues. In vitro, DMHP was metabolized to formaldehyde by the microsomal fractions of liver, lungs, kidneys, forestomach, and glandular stomach. In vivo, DMHP was metabolized to the product of demethylation, monomethyl hydrogen phosphite (MMHP), which was excreted in urine. Results of this study indicate that the NTP carcinogenicity study with DMHP was carried out within the dose range in which the absorption, metabolism, and disposition of DMHP are linear in both species. Apparent species-dependent differences in the metabolism and disposition of DMHP are limited to the more rapid metabolism and elimination by the mouse. Therefore, the species-dependent variations in the carcinogenicity of DMHP are most likely attributable to factors other than metabolism and disposition.

Verwendung und Herstellung

Uses · 6 Einträge

Used to make insecticides and herbicides; [ChemIDplus] Used as a lubricant additive, an adhesive, a flame retardant for fabrics, a stabilizer in oil and plaster, and as a steel corrosion inhibitor in combination with pyrocatechol; [HSDB] Used to make water treatment chemicals, flame retardants, and pharmaceuticals; [eChemPortal: SIDSUNEP]

Steel Producing [Category: Industry]

Lubricant additives; intermediate; adhesive

Dimethyl hydrogen phosphite is used as a flame retardant on Nylon 6 fibers and, in combination with guanidine and formaldehyde, to impart flame and crease resistance to cotton textiles. The compound is also used to increase fire resistance to cellulosic textiles, acrolein-grafted polyamide fibers and gamma-irradiated polyethylene. It is used as a lubricant additive, as a chemical intermediate in the production of organophosphorous pesticides and as an adhesive. Dimethyl hydrogen phosphite has also been used as a stabilizer in oil and plaster and, in combination with pyrocatechol, as a corrosion inhibitor on steel.

Feedstock for chemical synthesis.

Scheduled 3B precursor to DMMP.

U.S. Production · 5 Einträge

2023: 1,000,000 - <5,000,000 lb

This chemical is listed as a High Production Volume (HPV) (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).

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1975) PROBABLY GREATER THAN 4.5X10+5 GRAMS

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4072]

Consumer UsesCatalyst
Industry UsesCatalyst
Methods of Manufacturing · 3 Einträge

Dimethyl hydrogen phosphite is manufactured by the reaction of phosphorous trichloride with methanol or with sodium methoxide.

Reaction of phosphorus trichloride and methanol or sodium methoxide

Synthesis: Phosphorous trichloride and methanol. Catalyst: Methyl chloride.

General Manufacturing Information · 3 Einträge

All Other Basic Organic Chemical Manufacturing

Phosphonic acid, dimethyl ester: ACTIVE

Dimethyl hydrogen phosphite is a Scheduled 3B precursor.

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