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