| Identification | |
| Name: | Butanoic acid,2-(4-methyl-5-thiazolyl)ethyl ester |
| Synonyms: | 2-(4-Methyl-1,3-thiazol-5-yl)ethyl butanoate; |
| CAS: | 94159-31-6 |
| EINECS: | 303-209-8 |
| Molecular Formula: | C10H15NO2S |
| Molecular Weight: | 213.30 |
| InChI: | InChI=1/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.118 g/cm3 |
| Refractive index: | 1.513 |
| Appearance: | Colorless to yellow liquid |
| Specification: |
The IUPAC name of 2-(4-Methylthiazol-5-yl)ethyl butyrate is 2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate. With the CAS registry number 94159-31-6, it is also named as 2-(4-Methyl-1,3-thiazol-5-yl)ethyl butanoate. The product is colorless to yellow liquid. In addition, its molecular formula is C10H15NO2S and its molecular weight is 213.30. The other characteristics of 2-(4-Methylthiazol-5-yl)ethyl butyrate can be summarized as: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.92; (6)ACD/BCF (pH 7.4): 21.04; (7)ACD/KOC (pH 5.5): 306.29; (8)ACD/KOC (pH 7.4): 308.06; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 6; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 57.4 cm3; (15)Molar Volume: 190.7 cm3; (16)Polarizability: 22.75×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.118 g/cm3; (19)Flash Point: 139.5 °C; (20)Enthalpy of Vaporization: 54.76 kJ/mol; (21)Boiling Point: 307 °C at 760 mmHg; (22)Vapour Pressure: 0.000743 mmHg at 25 °C; (23) EINECS: 303-209-8. People can use the following data to convert to the molecule structure. |
| Safety Data | |
 |
|
