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543-86-2

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Basic Information
CAS No.: 543-86-2
Name: Isoamyl carbamate
Molecular Structure:
Molecular Structure of 543-86-2 (Isoamyl carbamate)
Formula: C6H13NO2
Molecular Weight: 131.175
Synonyms: 1-Butanol, 3-methyl-, carbamate;
Density: 0.97g/cm3
Melting Point: 64-66℃
Boiling Point: 220℃
Flash Point: 94.2°C
Solubility: 4.801g/L(15.5 oC)
Safety: Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.
PSA: 53.31000
LogP: 1.64160
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Chemistry

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

Toxicity Data With Reference

1.    

mmo-esc 3000 ppm/3H

     AMNTA4    American Naturalist. 85 (1951),119.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.

Specification

  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 .