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4-Methoxy-2,5-dimethyl-3(2H)-furanone

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Name

4-Methoxy-2,5-dimethyl-3(2H)-furanone

EINECS 223-797-9
CAS No. 4077-47-8 Density 1.1 g/cm3
Solubility Melting Point
Formula C7H10O3 Boiling Point 222.1 °C at 760 mmHg
Molecular Weight 142.15 Flash Point 78.5 °C
Transport Information Appearance Colorless to yellow liquid
Safety Risk Codes
Molecular Structure Molecular Structure of 4077-47-8 (3(2H)-Furanone,4-methoxy-2,5-dimethyl-) Hazard Symbols
Synonyms

2,5-Dimethyl-4-methoxy-2,3-dihydro-3-furanone;2,5-Dimethyl-4-methoxy-2H-furan-3-one;2,5-Dimethyl-4-methoxy-3(2H)-furanone;4-Methoxy-2,5-dimethyl-2,3-dihydrofuran-3-one;4-Methoxy-2,5-dimethyl-3(2H)-furanone;Mesifuran;Mesifurane;

 

4-Methoxy-2,5-dimethyl-3(2H)-furanone Specification

The IUPAC name of 4-Methoxy-2,5-dimethyl-3(2H)-furanone is 4-methoxy-2,5-dimethylfuran-3-one. With the CAS registry number 4077-47-8, it is also named as 2,5-Dimethyl-4-methoxy-2,3-dihydro-3-furanone. The product's categories are Alphabetical Listings; C-D; Flavors and Fragrances, and the other registry number is 144831-51-6. Besides, it should be sealed in a dark, ventilated and dry place. This chemical can be used to produce flavor. In addition, its molecular formula is C7H10O3 and molecular weight is 142.15.

The other characteristics of this product can be summarized as: (1)EINECS: 223-797-9; (2)FEMA: 3664; (3)ACD/LogP: 0.54; (4)# of Rule of 5 Violations: 0; (5)ACD/LogD (pH 5.5): 0.54; (6)ACD/LogD (pH 7.4): 0.54; (7)ACD/BCF (pH 5.5): 1.51; (8)ACD/BCF (pH 7.4): 1.51; (9)ACD/KOC (pH 5.5): 46.84; (10)ACD/KOC (pH 7.4): 46.84; (11)#H bond acceptors: 3; (12)#H bond donors: 0; (13)#Freely Rotating Bonds: 1; (14)Polar Surface Area: 35.53 Å2; (15)Index of Refraction: 1.46; (16)Molar Refractivity: 35.43 cm3; (17)Molar Volume: 129.1 cm3; (18)Polarizability: 14.04×10-24cm3; (19)Surface Tension: 30.9 dyne/cm; (20)Density: 1.1 g/cm3; (21)Flash Point: 78.5 °C; (22)Enthalpy of Vaporization: 45.86 kJ/mol; (23)Boiling Point: 222.1 °C at 760 mmHg; (24)Vapour Pressure: 0.103 mmHg at 25 °C.

Preparation of 4-Methoxy-2,5-dimethyl-3(2H)-furanone: this chemical can be prepared by the reaction of 2,5-Dimethyl-4-hydroxy-3(2H)-furanon with methanol.



This reaction needs p-toluenesulfonic acid by heating for 6 hours. The yield is 80 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC1C(=O)C(=C(O1)C)OC
(2)InChI: InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3
(3)InChIKey: SIMKGHMLPVDSJE-UHFFFAOYSA-N

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