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