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

Name
4-Methoxy-2,5-dimethyl-3(2H)-furanone
EINECS 223-797-9
CAS No. 4077-47-8
Article Data2
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point
Formula C₇H₁₀O₃
Boiling Point 222.1 °C at 760 mmHg
Molecular Weight 142.155
Flash Point 78.5 °C
Transport Information
Appearance Colorless to yellow liquid
Safety 24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
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;
PSA 35.53000
LogP 0.85210

Synthetic route

: 67-56-1
methanol

: 3658-77-3
furaneol

: 4077-47-8
2,5-dimethyl-4-methoxy-3(2H)-furanone

Conditions

Conditions	Yield
With toluene-4-sulfonic acid for 6h; Heating;	80%

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

Product Name

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

Synthetic route

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

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