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Ethylxanthate

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Name

Ethylxanthate

EINECS 205-780-8
CAS No. 151-01-9 Density 1.181 g/cm3
PSA 91.12000 LogP 1.78530
Solubility N/A Melting Point 140 °C
Formula C3H6OS2 Boiling Point 120.5 °C at 760mmHg
Molecular Weight 122.212 Flash Point 26.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 151-01-9 (O-ethyl hydrogen dithiocarbonate) Hazard Symbols N/A
Synonyms

Carbonicacid, dithio-, O-ethyl ester (8CI);Dithiocarbonic acid O-ethyl ester;Ethylxanthogenate;Ethylxanthate;Ethylxanthic acid;O-Ethyl dithiocarbonate;O-Ethylxanthate;Xanthate;Xanthic acid, ethyl-;Xanthogenic acid;Xanthogenicacid, ethyl-;

Article Data 40

Ethylxanthate Consensus Reports

Reported in EPA TSCA Inventory.

Ethylxanthate Specification

The Ethylxanthate is an organic compound with the formula C3H6OS2. The IUPAC name of this chemical is ethoxymethanedithioic acid. With the CAS registry number 151-01-9, it is also named as Carbonic acid, dithio-, O-ethyl ester. The classification codes are Anti-infective agents; Mutation data. Additionally, the related registry numbers are 140-89-6 (potassium salt) and 140-90-9 (hydrochloride salt). When heated to decomposition Ethylxanthate emits toxic vapors of SOx.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -1.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.39; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 32.87 cm3; (14)Molar Volume: 103.4 cm3; (15)Polarizability: 13.03×10-24 cm3; (16)Surface Tension: 46.1 dyne/cm; (17)Enthalpy of Vaporization: 34.38 kJ/mol; (18)Vapour Pressure: 18.2 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 121.986006; (21)MonoIsotopic Mass: 121.986006; (22)Topological Polar Surface Area: 42.3; (23)Heavy Atom Count: 6.

People can use the following data to convert to the molecule structure.
1. SMILES:S=C(OCC)S
2. InChI:InChI=1/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)

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