Product Name

  • Name

    dioctylisopentylphosphine oxide

  • EINECS
  • CAS No. 53521-41-8
  • Density 0.862g/cm3
  • Solubility
  • Melting Point
  • Formula C21H45 O P
  • Boiling Point 464.2°Cat760mmHg
  • Molecular Weight 344.63
  • Flash Point 234.6°C
  • Transport Information
  • Appearance
  • Safety Mildly toxic by inhalation and ingestion. When heated to decomposition it emits toxic fumes of POx and phosphine. See also PHOSPHINE.
  • Risk Codes
  • Molecular Structure Molecular Structure of 53521-41-8 (dioctylisopentylphosphine oxide)
  • Hazard Symbols
  • Synonyms Dioctylisoamylphosphineoxide; Isopentyldioctylphosphine oxide
  • PSA 26.88000
  • LogP 8.11660

Dioctylisopentylphosphine oxide Chemical Properties

Molecule structure of Dioctylisopentylphosphine oxide (CAS NO.53521-41-8) :

IUPAC Name: 1-[3-methylbutyl(octyl)phosphoryl]octane 
Molecular Weight: 344.555161 g/mol
Molecular Formula: C21H45OP 
Density: 0.862 g/cm3 
Boiling Point: 464.2 °C at 760 mmHg
Flash Point: 234.6 °C
Index of Refraction: 1.443
Molar Refractivity: 106.17 cm3
Molar Volume: 399.7 cm3
Polarizability: 42.08*10-24 cm3
Surface Tension: 30.2 dyne/cm 
Enthalpy of Vaporization: 69.78 kJ/mol 
Vapour Pressure: 2.36E-08 mmHg at 25 °C
XLogP3-AA: 7.9
H-Bond Acceptor: 1
Rotatable Bond Count: 17
Exact Mass: 344.320803
MonoIsotopic Mass: 344.320803
Topological Polar Surface Area: 17.1
Heavy Atom Count: 23
Complexity: 266
Canonical SMILES: CCCCCCCCP(=O)(CCCCCCCC)CCC(C)C
InChI: InChI=1S/C21H45OP/c1-5-7-9-11-13-15-18-23(22,20-17-21(3)4)19-16-14-12-10-8-6-2/h21H,5-20H2,1-4H3
InChIKey of Dioctylisopentylphosphine oxide (CAS NO.53521-41-8) : WFNJCSZBFYCVEJ-UHFFFAOYSA-N

Dioctylisopentylphosphine oxide Toxicity Data With Reference

1.    

orl-rat LD50:8369 mg/kg

     GISAAA    Gigiena i Sanitariya. 47 (8)(1982),27.
2.    

ihl-rat LC50:3311 g/m3

     GISAAA    Gigiena i Sanitariya. 47 (8)(1982),27.
3.    

orl-mus LD50:9500 mg/kg

     GISAAA    Gigiena i Sanitariya. 47 (8)(1982),27.
4.    

ihl-mus LC50:1288 g/m3

     GISAAA    Gigiena i Sanitariya. 47 (8)(1982),27.

Dioctylisopentylphosphine oxide Safety Profile

Mildly toxic by inhalation and ingestion. When heated to decomposition it emits toxic fumes of POx and phosphine. See also PHOSPHINE.

Dioctylisopentylphosphine oxide Specification

 Dioctylisopentylphosphine oxide (CAS NO.53521-41-8) is also called BRN 2106520 ; Isopentyldioctylphosphine oxide ; Phosphine oxide, (3-methylbutyl)dioctyl- (9CI) ; Phosphine oxide, dioctylisopentyl- .

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