Dimethyl (2-Hydroxyethyl)phosphonate - ≥92% , CAS No.54731-72-5

CAS: 54731-72-5 Cat. No.: D133489 Formula: C₄H₁₁O₄P Molecular Weight: 154.1 EC Number: 259-310-1

GRADE & PURITY ≥92%

Synonyms

A851545 | 2-dimethoxyphosphorylethanol | 2-hydroxyethylphosphonic acid dimethylester | 2-Hydroxyethylphosphonic Acid Dimethyl Ester | TZPPDWDHNIMTDQ-UHFFFAOYSA- | hydroxyethyldimethylphosphonic acid | AKOS015915772 | MFCD00043376 | Dimethyl 2-Hydroxyethyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A851545 | 2-dimethoxyphosphorylethanol | 2-hydroxyethylphosphonic acid dimethylester | 2-Hydroxyethylphosphonic Acid Dimethyl Ester | TZPPDWDHNIMTDQ-UHFFFAOYSA- | hydroxyethyldimethylphosphonic acid | AKOS015915772 | MFCD00043376 | Dimethyl 2-Hydroxyethyl

Specifications & Purity

≥92%

Storage

Room temperature

Shipped In

Normal

Purity

≥92%

Names and Identifiers

• Canonical Smiles: COP(=O)(CCO)OC
• IUPAC Name: 2-dimethoxyphosphorylethanol
• InChIKey: TZPPDWDHNIMTDQ-UHFFFAOYSA-N
• INCHI: 1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3
• Isomeric SMILES: COP(=O)(CCO)OC
• Molecular Weight: 154.1
• Reaxy-Rn: 1759942
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759942&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Primary alcohols Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organophosphorus compound - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group.
• External Descriptors: Not available

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in water: soluble Solubility in other solvents: soluble in most common organic solvents
• Sensitivity: Moisture Sensitive
• x_refractive_index: 1.44
• x_flash_point_drop_fahrenheit: 192°C(lit.)
• x_flash_point_drop_centigrade: 192°C(lit.)
• x_boil_point_char: 97°C/6mmHg(lit.)
• Molecular Weight: 154.100 g/mol
• XLogP3: -1.200
• 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: 105.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥92% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 54731-72-5, the molecular formula is C4H11O4P, and the molecular weight is 154.1 g/mol. InChIKey TZPPDWDHNIMTDQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.