2-Ethylbutyl acetate

The Acetic acid,2-ethylbutyl ester is an organic compound with the formula C₈H₁₆O₂. The IUPAC name of this chemical is 2-ethylbutyl acetate. With the CAS registry number 10031-87-5, it is also named as β-Ethylbutyl acetate. The product's categories are C8 to C9; Carbonyl Compounds; Esters; Alphabetical Listings; E-F; Flavors and Fragrances. Besides, it should be stored in a cool place. It is mainly used for the preparation of fruit flavors. It is used as a solvent of chlorinated rubber, nitrocellulose, polyvinyl acetate, natural oils.

Physical properties about Acetic acid,2-ethylbutyl ester are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.65; (3)ACD/LogD (pH 7.4): 2.65; (4)ACD/BCF (pH 5.5): 60.79; (5)ACD/BCF (pH 7.4): 60.79; (6)ACD/KOC (pH 5.5): 658.39; (7)ACD/KOC (pH 7.4): 658.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.411; (12)Molar Refractivity: 40.84 cm³; (13)Molar Volume: 164.4 cm³; (14)Polarizability: 16.19×10^-24cm³; (15)Surface Tension: 26.3 dyne/cm; (16)Density: 0.876 g/cm³; (17)Flash Point: 52.8 °C; (18)Enthalpy of Vaporization: 39.91 kJ/mol; (19)Boiling Point: 162.5 °C at 760 mmHg; (20)Vapour Pressure: 2.16 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-ethyl butanol and acetic anhydride or butyric acid. This reaction will need solvent sulfuric acid.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(CC)CC)C
(2)InChI: InChI=1/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3
(3)InChIKey: HQLKZWRSOHTERR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3
(5)Std. InChIKey: HQLKZWRSOHTERR-UHFFFAOYSA-N