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Furancarboxylic acid,ethyl ester

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Name

Furancarboxylic acid,ethyl ester

EINECS 215-631-9
CAS No. 1335-40-6 Density 1.106 g/cm3
PSA 39.44000 LogP 1.45630
Solubility INSOLUBLE Melting Point 32-37 °C(lit.)
Formula C7H8O3 Boiling Point 196.8 °C at 760 mmHg
Molecular Weight 140.1366 Flash Point 70.6 °C
Transport Information N/A Appearance N/A
Safety 16 Risk Codes 11
Molecular Structure Molecular Structure of 1335-40-6 (ETHYL 2-FUROATE) Hazard Symbols FlammableF
Synonyms

Furoicacid, ethyl ester (8CI);Ethyl furoate;

 

Furancarboxylic acid,ethyl ester Specification

The Furancarboxylic acid,ethyl ester, with CAS registry number 1335-40-6, has the systematic name of ethyl furan-2-carboxylate. Besides this, it is also called Ethyl 2-furoate. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C7H8O3.

Physical properties of Furancarboxylic acid,ethyl ester: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 8.42; (6)ACD/BCF (pH 7.4): 8.42; (7)ACD/KOC (pH 5.5): 159.91; (8)ACD/KOC (pH 7.4): 159.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 34.95 cm3; (15)Molar Volume: 126.6 cm3; (16)Polarizability: 13.85×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 70.6 °C; (20)Enthalpy of Vaporization: 43.3 kJ/mol; (21)Boiling Point: 196.8 °C at 760 mmHg; (22)Vapour Pressure: 0.391 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Furancarboxylic acid,ethyl ester is highly flammable, so keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1occc1
(2)InChI: InChI=1/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
(3)InChIKey: NHXSTXWKZVAVOQ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
(5)Std. InChIKey: NHXSTXWKZVAVOQ-UHFFFAOYSA-N

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