Monomethyl phosphate
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Basic information
- CAS
812-00-0- Standard SMILES
COP(=O)(O)O- InChIKey
CAAULPUQFIIOTL-UHFFFAOYSA-N- Molecular formula
- CH5O4P
- Average molar mass
- 112.02 g/mol
- Monoisotopic mass
- 111.99254563
Overview
Monomethyl phosphate is a clear very light amber liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- Monomethyl phosphate
- IUPAC
- methyl dihydrogen phosphate
- English name
- methyl dihydrogen phosphate
- Molecular formula
- CH5O4P
- Molecular weight
- 112.02
Names & synonyms
Methyl dihydrogen phosphateMethylphosphateMonomethyl phosphateO-Methyl phosphate812-00-0Monomethyl dihydrogen phosphateDihydrogen methyl phosphatePhosphoric acid, monomethyl esterDTXSID2025684CHEBI:340824NSC-419087C7GH393JL
Show more names
MONOMETHYLPHOSPHATEPhosphoric acid dihydrogen methyl esterMonomethyl Phosphate DISCONTINUED, unstable, offer M328950
Methyl phosphate ((MeO)(HO)2PO)Methyl phosphate ((CH3O)(HO)2PO)RefChem:818676DTXCID705684212-379-1methanolphosphateMethyl phosphate, (MeO)(HO)2POPhosphoric acid monomethyl ester
Database identifiers
- CAS
812-00-0- PubChem CID
- 13130
- DTXSID
DTXSID2025684- ChEMBL
CHEMBL344340- ChEBI
CHEBI:340824- UNII
- 7C7GH393JL
- EC Number
- 212-379-1
- Nikkaji
- J96.829C
Properties
Computed structural propertiesFilling in
- XLogP
- -1.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 71.6
Experimental & physicochemical properties
Density1.42 at 77 °F (NTP, 1992) - Denser than water; will sink
Solubilitygreater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
Flash Pointgreater than 220 °F (NTP, 1992)
Physical Description
Monomethyl phosphate is a clear very light amber liquid. (NTP, 1992)
Liquid; CBI
Physicochemical properties
- Boiling point
- 250.1 · 250.1±23.0 °C(Predicted)
- Density
- 1.587 · 1.587±0.06 g/cm3(Predicted)
- vapor pressure
- 0.089 Pa · 0.089Pa at 25℃
- pka
- 1.81 · 1.81±0.10(Predicted)
- Water Solubility
- 435 g/L · 435g/L at 25℃
- LogP
- -0.71 at · -0.71 at 25℃
- EWG's Food Scores
- 1 · 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (99.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphoric acid, monomethyl ester
Phosphoric acid, monomethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, monomethyl 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)
Phosphoric acid, monomethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of phosphorous oxides. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
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. Can be neutralized with alkalis or amines to give water-soluble salts. (NTP, 1992)
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Uses & manufacturing
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
Not Known or Reasonably Ascertainable
Phosphoric acid, monomethyl ester: ACTIVE
Applications
UsesMonomethyl phosphate is a useful building block and byproduct of the degradation of black phosphorous in protic solvents.
General DescriptionClear very light amber liquid.
Additional notes
DefinitionChEBI: A monoalkyl phosphate epitope having methyl as the alkyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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