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CAS No.: | 62435-72-7 |
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Name: | METHYL 2,5-DIHYDRO-2,5-DIMETHOXY-2-FURANCARBOXYLATE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H12O5 |
Molecular Weight: | 188.18 |
Synonyms: | 2-Furoicacid, 2,5-dihydro-2,5-dimethoxy-, methyl ester (6CI);2,5-Dimethoxy-2,5-dihydrofuran-2-carboxylic acid methyl ester;2-Furancarboxylic acid,2,5-dihydro-2,5-dimethoxy-, methyl ester; |
EINECS: | 263-540-8 |
Density: | 1.18 g/cm3 |
Boiling Point: | 245.4 °C at 760 mmHg |
Flash Point: | 104.4 °C |
Appearance: | colorless to light yellow liquid |
Safety: | 24/25 |
PSA: | 53.99000 |
LogP: | 0.06100 |
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The Methyl 2, 5-dimethoxy-2, 5-dihydrofuran-2-carboxylate, with the CAS registry number 62435-72-7, is also known as 2-Furancarboxylic acid, 2, 5-dihydro-2, 5-dimethoxy-, methyl ester. It belongs to the product categories of Aromatic Esters; Furan & Benzofuran; Building Blocks; Furans; Heterocyclic Building Blocks. Its EINECS registry number is 263-540-8. This chemical's molecular formula is C8H12O5 and molecular weight is 188.18. What's more, its IUPAC name is Methyl 2, 5-dimethoxy-2H-furan-5-carboxylate. During using it, you should avoid contacting with skin and eyes. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about Methyl 2, 5-dimethoxy-2, 5-dihydrofuran-2-carboxylate are: (1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.3; (4)ACD/LogD (pH 7.4): -0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.43; (8)ACD/KOC (pH 7.4): 16.43; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 44.01 cm3; (15)Molar Volume: 159 cm3; (16)Polarizability: 17.44×10-24 cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 104.4 °C; (20)Enthalpy of Vaporization: 48.25 kJ/mol; (21)Boiling Point: 245.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0288 mmHg at 25 °C.
Uses of Methyl 2, 5-dimethoxy-2, 5-dihydrofuran-2-carboxylate: it is used to produce other chemicals. For example, it is used to produce Furan-2-carboxylic acid. The reaction needs reagent KOH. Meanwhile, it needs solvents Methanol and H2O. The yield is about 52 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)C\1(OC)OC(OC)/C=C/1
(2) InChI: InChI=1/C8H12O5/c1-10-6-4-5-8(12-3,13-6)7(9)11-2/h4-6H,1-3H3
(3) InChIKey: GHVXSSBZJZUDSO-UHFFFAOYAH