IUPAC Name: 3-methylbutoxymethanedithioic acid; potassium
Empirical Formula: C6H12KOS2
Molecular Weight: 203.3792g/mol
H-Bond Donor: 0
H-Bond Acceptor: 1
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 202.996663
MonoIsotopic Mass: 202.996663
Topological Polar Surface Area: 9.2
Heavy Atom Count: 10
Formal Charge: 0
Complexity: 91.1
Flash Point: 65.3 °C
Enthalpy of Vaporization: 40.33 kJ/mol
Boiling Point: 184.4 °C at 760 mmHg
Vapour Pressure: 1.01 mmHg at 25°C
Canonical SMILES: CC(C)CCOC(=S)S.[K]
InChI: InChI=1S/C6H12OS2.K/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);
InChIKey: KFZWNRYTPOBSJL-UHFFFAOYSA-N
Structure of Potassium isoamyl xanthate (CAS NO.928-70-1):
1. | orl-rat LD50:765 mg/kg | GISAAA Gigiena i Sanitariya. 41 (6)(1976),95. | ||
2. | orl-mus LD50:470 mg/kg | GISAAA Gigiena i Sanitariya. 41 (6)(1976),95. | ||
3. | ivn-mus LD50:158 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 135 (1962),330. |
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and K2O. See also ESTERS.
Potassium isoamyl xanthate , its cas register number is 928-70-1. It also can be called Carbonic acid, dithio-, O-isopentyl ester, potassium salt ; EINECS 213-180-2 ; NSC 4864 ; O-(3-Methylbutyl)carbonodithioate, potassium salt ; Potassium O-isoamyl xanthate ; Potassium isopentyl xanthate ; Potassium isopentyl xanthogenate .Potassium isoamyl xanthate (CAS NO.928-70-1) is moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and K2O.
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