Ethyl 2-isobutylacetoacetate supplier

Name
Ethyl 2-isobutylacetoacetate
EINECS
CAS No. 1522-34-5
Article Data23
CAS DataBase
Density 0.955 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈O₃
Boiling Point 221.2 °C at 760 mmHg
Molecular Weight 186.251
Flash Point 85.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valericacid, 2-acetyl-4-methyl-, ethyl ester (6CI,7CI,8CI);Ethyl 2-acetyl-4-methylpentanoate;Ethyl 2-isobutylacetoacetate;
PSA 43.37000
LogP 1.80080

Ethyl 2-isobutylacetoacetate Specification

This chemical is called Ethyl 2-isobutylacetoacetate, and its systematic name is ethyl 2-acetyl-4-methylpentanoate. With the molecular formula of C₁₀H₁₈O₃, its molecular weight is 186.25. The CAS registry number of this chemical is 1522-34-5.

Other characteristics of the Ethyl 2-isobutylacetoacetate can be summarised as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.66; (6)ACD/BCF (pH 7.4): 44.66; (7)ACD/KOC (pH 5.5): 527.99; (8)ACD/KOC (pH 7.4): 527.97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 50.09 cm³; (15)Molar Volume: 194.9 cm³; (16)Polarizability: 19.86×10^-24cm³; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 0.955 g/cm³; (19)Flash Point: 85.8 °C; (20)Enthalpy of Vaporization: 45.77 kJ/mol; (21)Boiling Point: 221.2 °C at 760 mmHg; (22)Vapour Pressure: 0.108 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(C(C(=O)OCC)CC(C)C)C
2.InChI: InChI=1/C10H18O3/c1-5-13-10(12)9(8(4)11)6-7(2)3/h7,9H,5-6H2,1-4H3
3.InChIKey: ZGULNKYAODXSCS-UHFFFAOYAC

Product Name

Ethyl 2-isobutylacetoacetate

Ethyl 2-isobutylacetoacetate Specification

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