Monoethyl phosphate
Basic information
- CAS
1623-14-9- Standard SMILES
CCOP(=O)(O)O- InChIKey
ZJXZSIYSNXKHEA-UHFFFAOYSA-N- Molecular formula
- C2H7O4P
- Average molar mass
- 126.05 g/mol
- Monoisotopic mass
- 126.0081957
Overview
Ethyl dihydrogen phosphate is a monoalkyl phosphate epitope having ethyl as the alkyl group. It has a role as an epitope and a phosphoantigen. It is a conjugate acid of an ethyl hydrogen phosphate(1-).
Names & identifiers
- Preferred name
- Monoethyl phosphate
- IUPAC
- ethyl dihydrogen phosphate
- English name
- Ethyl dihydrogen phosphate
- Molecular formula
- C2H7O4P
- Molecular weight
- 126.05
Names & synonyms
Ethyl dihydrogen phosphateMonoethyl phosphate1623-14-9Monoethyl acid phosphateO-Ethyl dihydrogen phosphatePHOSPHORIC ACID, MONOETHYL ESTERBMH1WT204ACHEBI:42383DTXSID70862718RefChem:596177DTXCID70197719216-603-9
Show more names
Ai3-15046Brn 1702252Baloxavir Impurity 50monoethylphosphoric acid
Phosphoric acid monoethyl esterethoxyphosphonic acidEthyl phosphate ((eto)(ho)2po)MFCD00045735Ethyl Dihydrogen Phosphate;EFSEthyl phosphate, mono-EINECS 216-603-9
Database identifiers
- CAS
1623-14-9、67874-00-4、78-40-0- PubChem CID
- 74190
- DTXSID
DTXSID70862718- ChEBI
CHEBI:42383- UNII
- BMH1WT204A
- EC Number
- 216-603-9
- Nikkaji
- J195.250A
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 83.7
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesOptical coefficient
LogP0.80
Melting Point-56.4 °C
Physical Description
Liquid
Liquid
Physicochemical properties
- Melting point
- 42 °C · 42 °C
- Boiling point
- 252.4 · 252.4±23.0 °C(Predicted)
- Density
- 1.43 · 1.4300
- refractive index
- 1.427 · 1.4270
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- pka
- 1.91 · 1.91±0.10(Predicted)
- color
- White to Beige
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
This chemical does not meet GHS hazard criteria for 100% (48 of 48) of all reports.
Not Classified
Aggregated GHS information provided per 48 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phosphoric acid, monoethyl ester
Phosphoric acid, monoethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, monoethyl 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)
Hazard Classes and CategoriesNot Classified
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
UsesEthylphosphate is produced by the reaction between diethylphosphate and water, with ethanol as a byproduct.
U.S. Production2023: 50,312 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
Paint and Coating Manufacturing
Phosphoric acid, monoethyl ester: ACTIVE
Applications
UsesEthyl Dihydrogen Phosphate, can be used in structure-based drug design studies on series of aldolase inhibitors
Additional notes
DefinitionChEBI: A monoalkyl phosphate epitope having ethyl as the alkyl group.
Suppliers
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Related reactions
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Compound notes
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