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| CAS No.: | 80079-25-0 |
|---|---|
| Name: | 2-Ethyl-3-methylbenzofuran |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C11H12O |
| Molecular Weight: | 160.216 |
| Synonyms: | 2-Ethyl-3-methylbenzofuran;Benzofuran, 2-ethyl-3-methyl- |
| Density: | 1.03 g/cm3 |
| Boiling Point: | 239.6 °C at 760 mmHg |
| Flash Point: | 97.3 °C |
| PSA: | 13.14000 |
| LogP: | 3.30360 |
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Specification
This chemical is called 2-Ethyl-3-methylbenzofuran, and its systematic name is benzofuran, 2-ethyl-3-methyl-. With the molecular formula of C11H12O, its molecular weight is 160.21. The CAS registry number of this chemical is 80079-25-0. Additionally, its product categories are Heterocycles; Heterocyclic Compound.
Other characteristics of the 2-Ethyl-3-methylbenzofuran can be summarised as followings: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 798.62; (6)ACD/BCF (pH 7.4): 798.62; (7)ACD/KOC (pH 5.5): 4160.05; (8)ACD/KOC (pH 7.4): 4160.05; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 50.76 cm3; (15)Molar Volume: 155.4 cm3; (16)Polarizability: 20.12×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.03 g/cm3; (19)Flash Point: 97.3 °C; (20)Enthalpy of Vaporization: 45.72 kJ/mol; (21)Boiling Point: 239.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0614 mmHg at 25°C.
Production method of this chemical: The 2-Ethyl-3-methylbenzofuran could be obtained by the reactants of pentan-3-one and O-phenyl-hydroxylamine; hydrochloride. This reaction needs the reagent of hydrogen chloride, and the solvent of ethanol. The yield is 66 %. In addition, this reaction should be taken for 2 hours. The other condition is heating.
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You can still convert the following datas into molecular structure:
1.SMILES: CCc1c(c2ccccc2o1)C
2.InChI: InChI=1/C11H12O/c1-3-10-8(2)9-6-4-5-7-11(9)12-10/h4-7H,3H2,1-2H3
3.InChIKey: XYFFYNXZBWDIPL-UHFFFAOYAR