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Diethyl hydrogen phosphate - 10mM in DMSO, high purity , CAS No.598-02-7
Cas Number: 598-02-7
Molecular Weight: 154.1
PubChem CID:
654
Basic Description
Synonyms
diethyl hydrogen phosphate | Diethyl phosphate | 598-02-7 | Diethyl acid phosphate | phosphoric acid, diethyl ester | diethylphosphate | diethyl phosphoric acid | Diethylphosphoric acid | diethoxyphosphinic acid | Ethyl phosphate, di- | O,O-Diethyl hydrogen phosphate | Ethyl p
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Subclass
Phosphate esters
Intermediate Tree Nodes
Alkyl phosphates
Direct Parent
Dialkyl phosphates
Alternative Parents
Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Dialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
External Descriptors
dialkyl phosphate
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
diethyl hydrogen phosphate
INCHI
InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
InChIKey
UCQFCFPECQILOL-UHFFFAOYSA-N
Smiles
CCOP(=O)(O)OCC
Isomeric SMILES
CCOP(=O)(O)OCC
Molecular Weight
154.1
Reaxy-Rn
1704113
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1704113&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Heat sensitive
Boil Point(°C)
200.27°C
Molecular Weight
154.100 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
154.039 Da
Monoisotopic Mass
154.039 Da
Topological Polar Surface Area
55.800 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
103.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Zhongwei Wang, Shoulu Yang, Zhu Liu, Fangjun Ding, Ning Ji, Yiqiang Wu.
(2023)
Tung oil-based phosphorus-containing polyol as a flame retardant for bamboo.
CONSTRUCTION AND BUILDING MATERIALS,
366
(130240).
2.
Peng Zhang, Yaqing Cui, Ren Shi, Jing Wang, Linke Ge, Qinglin Mu.
(2025)
Occurrence and ecological risks of organophosphate esters in the sediments of Hangzhou Bay and the East China Sea.
MARINE POLLUTION BULLETIN,
210
(117332).
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