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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 | Hazard Symbols | F | |
Synonyms |
Furoicacid, ethyl ester (8CI);Ethyl furoate; |
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