ISOPROPYL PROPIONATE

The Propanoic acid,1-methylethyl ester, with the CAS registry number 637-78-5, is also known as 1-Methylethyl propanoate. It belongs to the product categories of Organics; Ester Flavor. Its EINECS registry number is 211-300-8. This chemical's molecular formula is C₆H₁₂O₂ and molecular weight is 116.16. Its IUPAC name is called propan-2-yl propanoate. This chemical is colorless liquid which can be used as a solvent and to make flavorings.

Physical properties of Propanoic acid,1-methylethyl ester: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.47; (6)ACD/BCF (pH 7.4): 9.47; (7)ACD/KOC (pH 5.5): 173.93; (8)ACD/KOC (pH 7.4): 173.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.395; (13)Molar Refractivity: 31.57 cm³; (14)Molar Volume: 131.4 cm³; (15)Surface Tension: 24.6 dyne/cm; (16)Density: 0.883 g/cm³; (17)Flash Point: 19.4 °C; (18)Enthalpy of Vaporization: 35.11 kJ/mol; (19)Boiling Point: 112.6 °C at 760 mmHg; (20)Vapour Pressure: 21.6 mmHg at 25°C.

Preparation: this chemical can be prepared by propionyl chloride and propan-2-ol. This reaction will need reagent pyridine.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air which only need brief contact with an ignition source and has a very low flash point or evolve highly flammable gases in contact with water. It is highly flammable. You should keep container tightly closed in a cool place and keep container in a well-ventilated place. In addition, you also need keep it away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)OC(C)C
(2)InChI: InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
(3)InChIKey: IJMWOMHMDSDKGK-UHFFFAOYSA-N