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CAS No.: | 4077-47-8 |
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Name: | 4-Methoxy-2,5-dimethyl-3(2H)-furanone |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H10O3 |
Molecular Weight: | 142.155 |
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; |
EINECS: | 223-797-9 |
Density: | 1.1 g/cm3 |
Boiling Point: | 222.1 °C at 760 mmHg |
Flash Point: | 78.5 °C |
Appearance: | Colorless to yellow liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 24/25 |
PSA: | 35.53000 |
LogP: | 0.85210 |
Conditions | Yield |
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With toluene-4-sulfonic acid for 6h; Heating; | 80% |
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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