Pentanoic acid,4-methyl-2-oxo-, ethyl ester supplier

Name
ethyl 4-methyl-2-oxovalerate
EINECS 247-439-6
CAS No. 26073-09-6
Article Data26
CAS DataBase
Density 0.979 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₃
Boiling Point 205.2 °C at 760 mmHg
Molecular Weight 158.197
Flash Point 77.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valericacid, 4-methyl-2-oxo-, ethyl ester (7CI,8CI);Ethyl 2-oxo-4-methylpentanoate;Ethyl 4-methyl-2-oxopentanoate;Ethyl 4-methyl-2-oxovalerate;Ethyl a-ketoisocaproate;2-Oxo-4-methylpentanoic acid ethyl ester;
PSA 43.37000
LogP 1.16470

Pentanoic acid,4-methyl-2-oxo-, ethyl ester Specification

The Pentanoic acid,4-methyl-2-oxo-, ethyl ester, with the CAS registry number 26073-09-6, is also known as 2-Oxo-4-methylpentanoic acid ethyl ester. This chemical's molecular formula is C₈H₁₄O₃ and molecular weight is 158.19. What's more, its systematic name is Ethyl 4-methyl-2-oxopentanoate and its EINECS number is 247-439-6.

Physical properties of Pentanoic acid,4-methyl-2-oxo-, ethyl ester are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.56; (6)ACD/BCF (pH 7.4): 7.56; (7)ACD/KOC (pH 5.5): 148.03; (8)ACD/KOC (pH 7.4): 148.03; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 40.87 cm³; (15)Molar Volume: 161.5 cm³; (16)Polarizability: 16.2×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 0.979 g/cm³; (19)Flash Point: 77.1 °C; (20)Enthalpy of Vaporization: 44.14 kJ/mol; (21)Boiling Point: 205.2 °C at 760 mmHg; (22)Vapour Pressure: 0.253 mmHg at 25°C.

Preparation: this chemical can be prepared by oxalic acid diethyl ester at the temperature of -80 °C. This reaction will need solvent btetrahydrofuran and the yield is about 74%.

Pentanoic acid,4-methyl-2-oxo-, ethyl ester can be prepared by oxalic acid diethyl ester at the temperature of -80 °C

Uses of Pentanoic acid,4-methyl-2-oxo-, ethyl ester: it can be used to produce 3-bromo-4-methyl-2-oxo-pentanoic acid ethyl ester by heating. It will need reagent CuBr₂ and solvent ethyl acetate with the reaction time of 18 hours. The yield is about 83%.

Pentanoic acid,4-methyl-2-oxo-, ethyl ester can be used to produce 3-bromo-4-methyl-2-oxo-pentanoic acid ethyl ester by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)OCC)CC(C)C
(2)InChI: InChI=1/C8H14O3/c1-4-11-8(10)7(9)5-6(2)3/h6H,4-5H2,1-3H3
(3)InChIKey: MGSWAHQQBHNCEI-UHFFFAOYSA-N

Product Name

ethyl 4-methyl-2-oxovalerate

Pentanoic acid,4-methyl-2-oxo-, ethyl ester Specification

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