2,3-DIMETHOXYTOLUENE

The 3-Methylveratrole, with CAS registry number 4463-33-6, belongs to the following product category: Aromatic Hydrocarbons (substituted) & Derivatives. It has the systematic name of 1,2-dimethoxy-3-methylbenzene. And the chemical formula of this chemical is C₉H₁₂O₂. What's more, its EINECS is 224-726-4.

Physical properties of 3-Methylveratrole: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.34; (6)ACD/BCF (pH 7.4): 40.34; (7)ACD/KOC (pH 5.5): 490.9; (8)ACD/KOC (pH 7.4): 490.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 44.43 cm³; (15)Molar Volume: 153.7 cm³; (16)Polarizability: 17.61×10^-24cm³; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 67.6 °C; (20)Enthalpy of Vaporization: 41.97 kJ/mol; (21)Boiling Point: 201.4 °C at 760 mmHg; (22)Vapour Pressure: 0.438 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,3-dimethoxy-benzaldehyde. This reaction will need reagent H₂, aq. HCl and solvent ethanol.

Uses of 3-Methylveratrole: it can be used to produce 2,3-dimethoxy-5-nitro-toluene. This reaction will need reagents glacial acetic acid, nitric acid.

When you are using this chemical, please be cautious about it as the following:
The 3-Methylveratrole 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: O(c1c(cccc1OC)C)C
(2)InChI: InChI=1/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3
(3)InChIKey: WMXFNCKPYCAIQW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3
(5)Std. InChIKey: WMXFNCKPYCAIQW-UHFFFAOYSA-N