6172-97-0

Basic information

• Product Name: dimethyl octylphosphonate
• Synonyms: Dimethyl octylphosphonate; phosphonic acid, P-octyl-, dimethyl ester
• CAS NO: 6172-97-0
• Molecular Formula: C₁₀H₂₃O₃P
• Molecular Weight: 222.2616
• Mol File: 6172-97-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 282.57°C at 760 mmHg
• Flash Point: 138.645°C
• Density: 0.964g/cm³
• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: 1.423
• CAS DataBase Reference: dimethyl octylphosphonate(CAS DataBase Reference)
• NIST Chemistry Reference: dimethyl octylphosphonate(6172-97-0)
• EPA Substance Registry System: dimethyl octylphosphonate(6172-97-0)

Safety Data

• Hazardous Substances Data: 6172-97-0(Hazardous Substances Data)

Upstream product

• 96-36-6 methyl phosphite 
• 111-66-0 oct-1-ene 
• 629-27-6 1-Iodooctane 

Downstream Products

• 4724-48-5 n-octylphosphonic acid 
• 114614-84-5 (E)-1-nonenylcyclohexane 
• 127392-75-0 1-cyclohexyl-1(Z)-nonene 
• 42036-73-7 1-(non-1-enyl)benzene 
• 3095-94-1 Octyl-P(O)Cl₂ 

Relevant articles and documents

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This paper describes the synthesis and the characterization by 1H and 31P NMR of several monosalts and monoacids issued from phosphonates bearing alkyl groups (C1 to C18) or alkylene groups (allyl or vinyl). Functional compounds (alcohol or acetate) were also used and the results demonstrate the reaction selectivity. The method involves sodium iodide in ketones (acetone or 2-butanone) under reflux. It is very selective for monosalts, but only methyl phosphonates are very reactive. The corresponding acids were then obtained in quantitative yields with a cation exchange resin (sulfate acid).