2-Furancarboxylic acid,5-methyl- (1917-15-3)

The 5-Methyl-2-furoic acid, with CAS registry number 1917-15-3, belongs to the following product categorie: Furans. It has the systematic name of 5-methylfuran-2-carboxylic acid. Besides this, it is also called 2-Furancarboxylic acid, 5-methyl-. And the chemical formula of this chemical is C₆H₆O₃.

Physical properties about this chemical are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.527; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.44 Å²; (11)Index of Refraction: 1.512; (12)Molar Refractivity: 30.307 cm³; (13)Molar Volume: 101.033 cm³; (14)Polarizability: 12.015×10^-24cm³; (15)Surface Tension: 44.554 dyne/cm; (16)Enthalpy of Vaporization: 50.06 kJ/mol; (17)Vapour Pressure: 0.025 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-methyl-furan-2-carbaldehyde. This reaction will need reagents silver oxide, water.

Uses of 5-Methyl-2-furoic acid: it can be used to produce 5-hexyl-furan-2-carboxylic acid. This reaction will need reagent LDA and solvents tetrahydrofuran, hexane. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
The 5-Methyl-2-furoic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(o1)C(=O)O
(2)InChI: InChI=1/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
(3)InChIKey: OVOCLWJUABOAPL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
(5)Std. InChIKey: OVOCLWJUABOAPL-UHFFFAOYSA-N