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| Name |
Phenylphosphonic acid isobutyl 2-propynyl ester |
EINECS | N/A |
| CAS No. | 27442-58-6 | Density | 1.1g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H17 O3 P | Boiling Point | 327.4°Cat760mmHg |
| Molecular Weight | 252.27 | Flash Point | 165.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic vapors of POx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Phosphonicacid, phenyl-, 2-methylpropyl 2-propynyl ester (9CI); Phosphonic acid, phenyl-,isobutyl 2-propynyl ester (8CI); 2-Propyn-1-ol, isobutyl phenylphosphonate(8CI); 2-Methylpropyl 2-propynyl phenylphosphonate; MPP |
Phenylphosphonic acid isobutyl 2-propynyl ester Chemical Properties
IUPAC Name: [2-methylpropoxy(prop-2-ynoxy)phosphoryl]benzene
Synonyms of Phenylphosphonic acid isobutyl 2-propynyl ester (CAS NO.27442-58-6): NIA 16824 ; Phosphonic acid, phenyl-, 2-methylpropyl 2-propynyl ester (9CI) ; Phosphonic acid, phenyl-, isobutyl 2-propynyl ester
CAS NO: 27442-58-6
Molecular Formula of Phenylphosphonic acid isobutyl 2-propynyl ester (CAS NO.27442-58-6): C13H17O3P
Molecular Weight: 252.246
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 45.34 Å2
Index of Refraction: 1.498
Molar Refractivity: 67.16 cm3
Molar Volume: 228.9 cm3
Surface Tension: 39.3 dyne/cm
Density: 1.1 g/cm3
Flash Point: 165.6 °C
Enthalpy of Vaporization: 54.71 kJ/mol
Boiling Point: 327.4 °C at 760 mmHg
Vapour Pressure: 0.000386 mmHg at 25°C
Molecular Structure:
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Phenylphosphonic acid isobutyl 2-propynyl ester Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 2500mg/kg (2500mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 18, Pg. 753, 1970. | |
| rat | LD50 | oral | 600mg/kg (600mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 18, Pg. 753, 1970. |
Phenylphosphonic acid isobutyl 2-propynyl ester Safety Profile
Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic vapors of POx.
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