2-Furanpropanoic acid,tetrahydro-b-oxo-, ethyl ester supplier

Name
ETHYL 3-(TETRAHYDROFURAN-2-YL)-3-OXOPROPANOATE
EINECS
CAS No. 887411-85-0
Article Data4
CAS DataBase
Density 1.135 g/cm³
Solubility
Melting Point
Formula C₉H₁₄O₄
Boiling Point 268.8 °C at 760 mmHg
Molecular Weight 186.208
Flash Point 114.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ETHYL-2-TETRAHYDROFURFUROYL-ACETATE;ETHYL 3-OXO-3-(TETRAHYDROFURAN-2-YL)PROPANOATE;ETHYL 3-(TETRAHYDROFURAN-2-YL)-3-OXOPROPANOATE;Ethyl 3-Oxo-3-(2-tetrahydrofuryl)propanoate
PSA 52.60000
LogP 0.68770

2-Furanpropanoic acid,tetrahydro-b-oxo-, ethyl ester Specification

The 2-Furanpropanoic acid,tetrahydro-b-oxo-, ethyl ester is an organic compound with the formula C₉H₁₄O₄. The systematic name of this chemical is ethyl 3-oxo-3-(tetrahydrofuran-2-yl)propanoate. With the CAS registry number 887411-85-0, it is also named as Ethyl-2-Tetrahydrofurfuroyl-acetate.

Physical properties about 2-Furanpropanoic acid,tetrahydro-b-oxo-, ethyl ester are: (1)ACD/LogP: 0.87; (2)ACD/LogD (pH 5.5): 0.86; (3)ACD/LogD (pH 7.4): 0.86; (4)ACD/BCF (pH 5.5): 2.68; (5)ACD/BCF (pH 7.4): 2.67; (6)ACD/KOC (pH 5.5): 70.39; (7)ACD/KOC (pH 7.4): 70.19; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.46; (12)Molar Refractivity: 44.93 cm³; (13)Molar Volume: 164 cm³; (14)Polarizability: 17.81×10^-24cm³; (15)Surface Tension: 39 dyne/cm; (16)Density: 1.135 g/cm³; (17)Flash Point: 114.3 °C; (18)Enthalpy of Vaporization: 50.69 kJ/mol; (19)Boiling Point: 268.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00754 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC(=O)OCC)C1CCCO1
(2)InChI: InChI=1/C9H14O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h8H,2-6H2,1H3
(3)InChIKey: DVSIOGDCWXTPTK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H14O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h8H,2-6H2,1H3
(5)Std. InChIKey: DVSIOGDCWXTPTK-UHFFFAOYSA-N

Product Name

ETHYL 3-(TETRAHYDROFURAN-2-YL)-3-OXOPROPANOATE

2-Furanpropanoic acid,tetrahydro-b-oxo-, ethyl ester Specification

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