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Molecular Structure of Isoamyl carbamate (CAS NO. 543-86-2):
IUPAC Name: 3-Methylbutyl carbamate
Molecular Formula: C6H13NO2
Molecular Weight: 131.172920 g/mol
XLogP3: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Canonical SMILES: CC(C)CCOC(=O)N
InChI: InChI=1S/C6H13NO2/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKey: OLCIOXGQTLVZQT-UHFFFAOYSA-N
Index of Refraction: 1.432
Molar Refractivity: 35.11 cm3
Molar Volume: 135.1 cm3
Surface Tension: 32.2 dyne/cm
Density: 0.97 g/cm3
Flash Point: 94.2 °C
Enthalpy of Vaporization: 45.76 kJ/mol
Boiling Point: 221.1 °C at 760 mmHg
Vapour Pressure: 0.109 mmHg at 25 °C
Water Solubility: 6022 mg/L at 25 °C
BRN of Isoamyl carbamate (CAS NO. 543-86-2): 1748974
1. | mmo-esc 3000 ppm/3H | AMNTA4 American Naturalist. 85 (1951),119. |
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.
Isoamyl carbamate with cas registry number of 543-86-2 is known as 4-03-00-00058 (Beilstein Handbook Reference) ; Carbamate (isoamyl) ; Isoamyl aminoformate ; Isopentyl carbamate ; 1-Butanol, 3-methyl-, carbamate (9CI) ; Carbamic acid, isopentyl ester .