S-Propyl thioacetate supplier

Name
S-N-PROPYL THIOACETATE
EINECS 218-984-7
CAS No. 2307-10-0
Article Data20
CAS DataBase
Density 0.968 g/cm³
Solubility
Melting Point
Formula C₅H₁₀OS
Boiling Point 141.376 °C at 760 mmHg
Molecular Weight 118.2
Flash Point 36.039 °C
Transport Information
Appearance
Safety 16-26-36/37/39
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols R10:Flammable.;
Synonyms Aceticacid, thio-, S-propyl ester (6CI,7CI,8CI);Propyl thiolacetate;
PSA 42.37000
LogP 1.67610

S-Propyl thioacetate Specification

The S-Propyl thioacetate with the cas number 2307-10-0 is also called Ethanethioic acid,S-propyl ester. Its EINECS registry number is 218-984-7. The molecular formula is C₅H₁₀OS. The product's category is thioester Flavor.

The properties of the chemical are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.46; (6)ACD/BCF (pH 7.4): 13.46; (7)ACD/KOC (pH 5.5): 223.71; (8)ACD/KOC (pH 7.4): 223.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.37 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 33.23 cm³; (15)Molar Volume: 122.1 cm³; (16)Polarizability: 13.17×10^-24cm³; (17)Surface Tension: 30.3 dyne/cm; (18)Enthalpy of Vaporization: 37.86 kJ/mol; (19)Vapour Pressure: 5.87 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCCC)C
(2)InChI: InChI=1/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3
(3)InChIKey: SBWFWBJCYMBZEY-UHFFFAOYAP

Product Name

S-N-PROPYL THIOACETATE

S-Propyl thioacetate Specification

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