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The Molecular Structure of Methyl(1-oxopentyl)carbamic acid 2,2-dimethyl-1,3-benzodioxol-4-yl ester (CAS NO.40373-44-2):
Molecular Formula: C16H21NO5
Molecular Weight: 307.341640 g/mol
IUPAC: (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methyl-N-pentanoylcarbamate
Density: 1.166 g/cm3
Flash Point: 189.6 °C
Enthalpy of Vaporization: 63.93 kJ/mol
Boiling Point: 389.9 °C at 760 mmHg
Vapour Pressure: 2.75E-06 mmHg at 25°C
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.14
ACD/LogD (pH 7.4): 3.14
Surface Tension: 43.5 dyne/cm
ACD/BCF (pH 7.4): 142.68
ACD/KOC (pH 5.5): 1212.54
ACD/KOC (pH 7.4): 1212.54
Polar Surface Area: 65.07 Å2
Index of Refraction: 1.518
Molar Refractivity: 79.99 cm3
ACD/BCF (pH 5.5): 142.68
Molar Volume: 263.5 cm3
1. | orl-mus LD50:170 mg/kg | PSSCBG Pesticide Science. 3 (1972),735. |
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx.
Methyl(1-oxopentyl)carbamic acid 2,2-dimethyl-1,3-benzodioxol-4-yl ester (CAS NO.40373-44-2) can also be called as 2,2-Dimethyl-1,3-benzodioxol-4-yl N-pentanoyl-N-methylcarbamate ; Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester .