Tri-n-octylphosphine Oxide Tri-n-octylphosphine Oxide

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:78-50-2

MDL number:MFCD00002083

EINECS number:201-121-3

RTECS number:SZ1662500

BRN number:1796648

PubChem number:24853374

Physical property data

1. Appearance: white odorless crystalline powder

2. Density (g/mL, 20℃) 0.88

3. Relative vapor density (g/mL, air =1): Undetermined

4. Melting point (ºC): 52-57

5. Boiling point (ºC, normal pressure): Undetermined

6 . Boiling point (ºC, 0.3mmHg): 212-213

7. Refractive index (n20/D): Undetermined

8. Flash point (ºC): 252

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 40ºC): Undetermined

12. Saturated vapor pressure (kPa, 39ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: insoluble in water

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, skin contact: 500μL/24H, severity of reaction: moderate.

Standard Draize test: Rabbit, eye contact: 100mg/24H, severity of reaction: severe.

2. Acute toxicity: Rat oral LD50: >10mg/kg; rabbit skin contact LD50: 2830mg/kg.

生�Academic data

Not harmful to water.

Molecular structure data

1. Molar refractive index: 120.11

2. Molar volume (cm³/mol): 448.8

3. Isotonic specific volume (90.2K ): 1059.0

4. Surface tension (dyne/cm): 30.9

5. Polarizability (10-24cm³): 47.61 p>

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 9.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 21

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 266

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Reacts with strong oxidants.

Storage method

Store airtight in a cool, dry place.

Synthesis method

None yet

Purpose

Organic solvents. Extracting agent. ​​