2-(4-Methylthiazol-5-yl)ethyl hexanoate supplier

Name
2-(4-Methylthiazol-5-yl)ethyl hexanoate
EINECS 303-210-3
CAS No. 94159-32-7
Density 1.078 g/cm³
Solubility Soluble in non-polar solvents; Slightly soluble in water
Melting Point
Formula C₁₂H₁₉NO₂S
Boiling Point 143-145° (2 mm Hg)
Molecular Weight 241.354
Flash Point 158.3 °C
Transport Information
Appearance Colourless to yellow liquid; Roasted, nutty aroma
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Sulfuryl hexanoate;Caproic acid 2-(4-methylthiazol-5-yl)ethyl ester;2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate;
PSA 67.43000
LogP 3.11750

2-(4-Methylthiazol-5-yl)ethyl hexanoate Specification

The 2-(4-Methylthiazol-5-yl)ethyl hexanoate with cas registry number of 94159-32-7, is also called Sulfuryl hexanoate; Caproic acid 2-(4-methylthiazol-5-yl)ethyl ester.

Physical properties of 2-(4-Methylthiazol-5-yl)ethyl hexanoate: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 134.34; (6)ACD/BCF (pH 7.4): 135.11; (7)ACD/KOC (pH 5.5): 1159.45; (8)ACD/KOC (pH 7.4): 1166.14; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 66.67 cm³; (15)Molar Volume: 223.7 cm³; (16)Polarizability: 26.43×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Enthalpy of Vaporization: 58.14 kJ/mol; (19)Vapour Pressure: 0.000101 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:O=C(OCCc1scnc1C)CCCCC; (2)InChI:InChI=1/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3; (3)InChIKey:VJULDCZELAIZHC-UHFFFAOYAV; (4)Std. InChI:InChI=1S/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3; (5)Std. InChIKey:VJULDCZELAIZHC-UHFFFAOYSA-N.

Product Name

2-(4-Methylthiazol-5-yl)ethyl hexanoate

2-(4-Methylthiazol-5-yl)ethyl hexanoate Specification

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