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10031-87-5

Basic Information
CAS No.: 10031-87-5
Name: 2-Ethylbutyl acetate
Article Data: 8
Molecular Structure:
Molecular Structure of 10031-87-5 (2-Ethylbutyl acetate)
Formula: C8H16O2
Molecular Weight: 144.214
Synonyms: 1-Butanol,2-ethyl-, acetate (6CI);2-Ethylbutyl acetate;
EINECS: 233-095-4
Density: 0.876 g/cm3
Melting Point: -80.9°C (estimate)
Boiling Point: 162.5 °C at 760 mmHg
Flash Point: 52.8 °C
Appearance: clear colorless liquid
Risk Codes: 10
Safety: 16
PSA: 26.30000
LogP: 1.98570
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    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 c

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Specification

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