IUPAC Name: tris[(Z)-Octadec-9-enyl] borate
Synonyms of Boric acid, trioleyl ester (CAS NO.5337-42-8): Trioleyl borate
InChI: InChI=1/C54H105BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-54H2,1-3H3/b28-25-,29-26-,30-27-
InChIKey: VNESIAMKWIPJSA-IUPFWZBJBZ
Std. InChI: InChI=1S/C54H105BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-54H2,1-3H3/b28-25-,29-26-,30-27-
Std. InChIKey: VNESIAMKWIPJSA-IUPFWZBJSA-N
CAS NO: 5337-42-8
Molecular Formula: C54H105BO3
Molecular Weight: 813.2207
Molecular Structure :
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 51
Polar Surface Area: 27.69 Å2
Index of Refraction: 1.466
Molar Refractivity: 261.06 cm3
Molar Volume: 941.7 cm3
Surface Tension: 31.8 dyne/cm
Density: 0.863 g/cm3
Flash Point: 310.3 °C
Enthalpy of Vaporization: 107.72 kJ/mol
Boiling Point: 766.7 °C at 760 mmHg
Vapour Pressure: 1.73E-22 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 6200mg/kg (6200mg/kg) | "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964. |
Mildly toxic by ingestion. An eye irritant. When Boric acid, trioleyl ester (CAS NO.5337-42-8) is heated to decomposition ,it emits acrid smoke and irritating fumes. See also ESTERS and BORON COMPOUNDS.
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