Ethyl propionylacetate supplier

Name
Ethyl propionylacetate
EINECS 225-593-5
CAS No. 4949-44-4
Article Data61
CAS DataBase
Density 0.996 g/cm³
Solubility
Melting Point
Formula C₇H₁₂O₃
Boiling Point 192.988 °C at 760 mmHg
Molecular Weight 144.17
Flash Point 77.778 °C
Transport Information
Appearance colourless liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Oxopentanoic acid ethyl ester;Valericacid, 3-oxo-, ethyl ester (6CI,7CI,8CI);3-Oxovaleric acid ethyl ester;Ethyl 3-ketopentanoate;Ethyl 3-oxopentanoate;Ethyl 3-oxovalerate;Ethyl propanoylacetate;Ethyl propioacetate;Ethyl b-oxovalerate;NSC 7251;NSC 78662;Propionylacetic acid ethyl ester;
PSA 43.37000
LogP 0.91870

Ethyl propionylacetate Specification

This chemical is called Ethyl 3-oxovalerate, and its CAS registry number is 4949-44-4. With the molecular formula of C₇H₁₂O₃, its molecular weight is 144.17. Additionally, its product categories are Acetics acid and esters; C6 to C7; Carbonyl Compounds; Esters. In addition, this chemical should be sealed in the cool and dry plcace.

Other characteristics of the Ethyl 3-oxovalerate can be summarised as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.877; (4)ACD/LogD (pH 7.4): 0.876; (5)ACD/BCF (pH 5.5): 2.73; (6)ACD/BCF (pH 7.4): 2.729; (7)ACD/KOC (pH 5.5): 71.43; (8)ACD/KOC (pH 7.4): 71.384; (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: 1.416; (14)Molar Refractivity: 36.283 cm³; (15)Molar Volume: 144.685 cm³; (16)Polarizability: 14.384×10^-24cm³; (17)Surface Tension: 30.654 dyne/cm; (18)Density: 0.996 g/cm³; (19)Flash Point: 77.778 °C; (20)Enthalpy of Vaporization: 42.919 kJ/mol; (21)Boiling Point: 192.988 °C at 760 mmHg; (22)Vapour Pressure: 0.475 mmHg at 25°C.

Uses of this chemical: The Ethyl 3-oxovalerate could react with but-3-en-2-one, and obtain the 5-oxo-2-propionyl-hexanoic acid ethyl ester. This reaction needs the reagent of NaOMe.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: CCC(=O)CC(=O)OCC
2.InChI: InChI=1/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3
3.InChIKey: UDRCONFHWYGWFI-UHFFFAOYAJ

Product Name

Ethyl propionylacetate

Ethyl propionylacetate Specification

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