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Butyl pyruvate

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Name

Butyl pyruvate

EINECS N/A
CAS No. 20279-44-1 Density 0.996 g/cm3
PSA 43.37000 LogP 0.91870
Solubility N/A Melting Point N/A
Formula C7H12O3 Boiling Point 191.029 °C at 760 mmHg
Molecular Weight 144.17 Flash Point 71.423 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 20279-44-1 (Butyl pyruvate) Hazard Symbols N/A
Synonyms

Pyruvicacid, butyl ester (6CI,7CI,8CI);2-Ketopropanoic acid butyl ester;Butylpyruvate;n-Butyl pyruvate;

 

Butyl pyruvate Specification

The Propanoic acid, 2-oxo-,butyl ester, with the CAS registry number 20279-44-1, is also known as Pyruvic acid butyl ester. It belongs to the product category of Pyruvic Acid Series. This chemical's molecular formula is C7H12O3 and molecular weight is 144.17. What's more, its systematic name is butyl 2-oxopropanoate. It is used as raw materials for manufacturing pharmaceutical and intermediates of pesticide.

Physical properties of Propanoic acid, 2-oxo-,butyl ester are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.11; (6)ACD/BCF (pH 7.4): 4.11; (7)ACD/KOC (pH 5.5): 95.8; (8)ACD/KOC (pH 7.4): 95.8; (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: 1.415; (14)Molar Refractivity: 36.28 cm3; (15)Molar Volume: 144.6 cm3; (16)Polarizability: 14.38×10-24cm3; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 0.996 g/cm3; (19)Flash Point: 71.4 °C; (20)Enthalpy of Vaporization: 42.72 kJ/mol; (21)Boiling Point: 191 °C at 760 mmHg; (22)Vapour Pressure: 0.525 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)OCCCC)C
(2)Std. InChI: InChI=1S/C7H12O3/c1-3-4-5-10-7(9)6(2)8/h3-5H2,1-2H3
(3)Std. InChIKey: ZAZUOXBHFXAWMD-UHFFFAOYSA-N 

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