Pentanoic acid, 2,4-dimethyl-3-oxo-, ethyl ester supplier

Name
ethyl 2,4-dimethyl-3-oxopentanoate
EINECS
CAS No. 7251-96-9
Article Data9
CAS DataBase
Density 0.965 g/cm³
Solubility
Melting Point
Formula C₉H₁₆O₃
Boiling Point 207.1 °C at 760 mmHg
Molecular Weight 172.22
Flash Point 78.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valeric acid, 2,4-dimethyl-3-oxo-, ethyl ester (8CI);2,4-Dimethyl-3-oxopentanoic acid ethyl ester;NSC 15764;Ethyl 2,4-dimethyl-3-oxopentanoate;
PSA
LogP

Pentanoic acid, 2,4-dimethyl-3-oxo-, ethyl ester Specification

The Pentanoic acid, 2,4-dimethyl-3-oxo-, ethyl ester, with the CAS registry number 7251-96-9, is also known as 2,4-Dimethyl-3-oxopentanoic acid ethyl ester. This chemical's molecular formula is C₉H₁₆O₃ and molecular weight is 172.22. What's more, its systematic name is Ethyl 2,4-dimethyl-3-oxopentanoate.

Physical properties of Pentanoic acid, 2,4-dimethyl-3-oxo-, ethyl ester are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 43.37 Å²; (7)Index of Refraction: 1.423; (8)Molar Refractivity: 45.46 cm³; (9)Molar Volume: 178.4 cm³; (10)Polarizability: 18.02×10^-24cm³; (11)Surface Tension: 29.1 dyne/cm; (12)Density: 0.965 g/cm³; (13)Flash Point: 78.9 °C; (14)Enthalpy of Vaporization: 44.34 kJ/mol; (15)Boiling Point: 207.1 °C at 760 mmHg; (16)Vapour Pressure: 0.229 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(C(=O)OCC)C)C(C)C
(2)InChI: InChI=1/C9H16O3/c1-5-12-9(11)7(4)8(10)6(2)3/h6-7H,5H2,1-4H3
(3)InChIKey: JALTUNPRESCIAG-UHFFFAOYSA-N

Product Name

ethyl 2,4-dimethyl-3-oxopentanoate

Pentanoic acid, 2,4-dimethyl-3-oxo-, ethyl ester Specification

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