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CAS No.: | 615-09-8 |
---|---|
Name: | Ethyl 3-(2-furyl)-3-oxopropanoate |
Article Data: | 54 |
Molecular Structure: | |
Formula: | C9H10O4 |
Molecular Weight: | 182.176 |
Synonyms: | 2-Furanpropionicacid, b-oxo-, ethyl ester (6CI,7CI,8CI);3-(2-Furyl)-3-oxopropanoic acid ethyl ester;Ethyl 2-(fur-2-oyl)acetate;Ethyl2-furoylacetate;Ethyl3-(2-furyl)-3-oxopropionate;Ethyl 3-oxo-3-(2-furanyl)propanoate;b-Oxo-2-furanpropanoic acid ethylester; |
Density: | 1.162 g/cm3 |
Boiling Point: | 254.2 °C at 760 mmHg |
Flash Point: | 107.6 °C |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 56.51000 |
LogP: | 1.41550 |
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The CAS register number of Ethyl 3-(2-furyl)-3-oxopropanoate is 615-09-8. It also can be called as 3-(2-Furyl)-3-oxopropanoic acid ethyl ester. The molecular formula about this chemical is C9H10O4 and the molecular weight is 182.17.
Physical properties about Ethyl 3-(2-furyl)-3-oxopropanoate are: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 2.08; (5)ACD/BCF (pH 7.4): 2.07; (6)ACD/KOC (pH 5.5): 58.83; (7)ACD/KOC (pH 7.4): 58.55; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 56.51 Å2; (11)Index of Refraction: 1.476; (12)Molar Refractivity: 44.25 cm3; (13)Molar Volume: 156.7 cm3; (14)Polarizability: 17.54x10-24cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.162 g/cm3; (17)Flash Point: 107.6 °C; (18)Enthalpy of Vaporization: 49.17 kJ/mol; (19)Boiling Point: 254.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0174 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1-furan-2-yl-ethanone and carbonic acid diethyl ester. This reaction needs heating. This reaction will need reagent of sodium hydride and solvent of benzene. The reaction time is 1 hour. The yield is about 79%.
Uses of : it can be used to produce ethyl 3-amino-3-(2-furyl)propenoate. This reaction will need reagent of AcONH4, AcOH and solvent of benzene. This reaction needs heating. The reaction time is 25 hours. The yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
When you are using this chemical, do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1occc1)CC(=O)OCC
(2)InChI: InChI=1/C9H10O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
(3)InChIKey: PKHYBBXBBXOGMZ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H10O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
(5)Std. InChIKey: PKHYBBXBBXOGMZ-UHFFFAOYSA-N