The Molecular Structure of Methyl diepoxydiallylacetate (CAS NO.63041-05-4):
Molecular Formula: C9H14O4
Molecular Weight: 186.205060 g/mol
IUPAC: methyl 3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanoate
Density: 1.197 g/cm3
Flash Point: 109.5 °C
Enthalpy of Vaporization: 49.66 kJ/mol
Boiling Point: 258.9 °C at 760 mmHg
Vapour Pressure: 0.0133 mmHg at 25°C
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.96
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 5.5): 3.15
ACD/BCF (pH 7.4): 3.15
ACD/KOC (pH 5.5): 79.18
ACD/KOC (pH 7.4): 79.18
Polar Surface Area: 51.36Å2
Index of Refraction: 1.485
Molar Refractivity: 44.62 cm3
Molar Volume: 155.5 cm3
Surface Tension: 47 dyne/cm
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Methyl diepoxydiallylacetate (CAS NO.63041-05-4) can also be called as 4,5-Epoxy-2-(2,3-epoxypropyl)valeric acid, methyl ester ; 4-19-00-03473 (Beilstein Handbook Reference) ; BRN 0149273 ; Pentanoic acid, 4,5-epoxy-2-(2,3-epoxypropyl)-, methyl ester ; Valeric acid, 4,5-epoxy-2-(2,3-epoxypropyl)-, methyl ester .
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