4628-12-0

Basic information

• Product Name: DIBUTYL(1-PROPYL)PHOSPHONATE
• Synonyms: DI-N-BUTYL 1-PROPYLPHOSPHONATE;DIBUTYL PROPYLPHOSPHONATE;DIBUTYL(1-PROPYL)PHOSPHONATE;dibutylpropanephosphonate;propyl-phosphonicacidibutylester;Di-n-butyl 1-propanephosphonate~1-Propylphosphonic acid di-n-butyl ester;dibutyl 1-propanephosphonate;Dibutyl(1-propyl)phosphonate, min. 95 %
• CAS NO: 4628-12-0
• Molecular Formula: C₁₁H₂₅O₃P
• Molecular Weight: 236.29
• Mol File: 4628-12-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 300 °C at 760 mmHg
• Flash Point: 149.1 °C
• Appearance: /
• Density: 0.956 g/cm³
• Vapor Pressure: 0.00205mmHg at 25°C
• Refractive Index: 1.426
• CAS DataBase Reference: DIBUTYL(1-PROPYL)PHOSPHONATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIBUTYL(1-PROPYL)PHOSPHONATE(4628-12-0)
• EPA Substance Registry System: DIBUTYL(1-PROPYL)PHOSPHONATE(4628-12-0)

Safety Data

• Safety Statements: S24/25:Avoid contact with skin and eyes.
• Hazardous Substances Data: 4628-12-0(Hazardous Substances Data)

Usage

General Description

DIBUTYL(1-PROPYL)PHOSPHONATE is a chemical compound that is commonly used as a plasticizer and flame retardant in industrial applications. It is a clear, colorless to pale yellow liquid with a faint odor, and it is soluble in organic solvents. This chemical is also used in the production of polymers, resins, and other materials to improve their flexibility and fire resistance. DIBUTYL(1-PROPYL)PHOSPHONATE is considered to be relatively stable and non-toxic, but it should be handled with care and in accordance with proper safety precautions due to its flammability and potential for skin and eye irritation.

InChI:InChI=1/C11H25O3P/c1-4-7-9-13-15(12,11-6-3)14-10-8-5-2/h4-11H2,1-3H3

Upstream product

• 1809-19-4 dibutyl hydrogen phosphite 
• 106-94-5 propyl bromide 
• 4708-04-7 propylphosphonic dichloride 
• 71-36-3 butan-1-ol 
• 53682-35-2 C₇H₁₇O₃P 
• 4672-38-2 propylphosphonic acid 

Downstream Products

• 4708-04-7 propylphosphonic dichloride 

Relevant articles and documents

Microwave-assisted ionic liquid-catalyzed selective monoesterification of alkylphosphonic acids—an experimental and a theoretical study

It is well-known that the P-acids including phosphonic acids resist undergoing direct es-terification. However, it was found that a series of alkylphoshonic acids could be involved in mo-noesterification with C2–C4 alcohols under microwave (MW) irradiation in the presence of [bmim][BF4] as an additive. The selectivity amounted to 80–98%, while the isolated yields fell in the range of 61–79%. The method developed is a green method for P-acid esterification. DFT calculations at the M062X/6–311+G (d,p) level of theory (performed considering the solvent effect of the corresponding alcohol) explored the three-step mechanism, and justified a higher enthalpy of activation (160.6–194.1 kJ·mol–1) that may be overcome only by MW irradiation. The major role of the [bmim][BF4] additive is to increase the absorption of MW energy. The specific chemical role of the [BF4] anion of the ionic liquid in an alternative mechanism was also raised by the computations.

Surface-mediated solid phase reactions: A simple, efficient and base-free synthesis of phosphonates and phosphates on Al2O3

Al2O3-supported solvent free condensation of alkylphosphonic dichlorides with alcohols at room temperature yielded phosphorus esters in excellent yields.