3,4-Dimethoxytoluene

The 3,4-Dimethoxytoluene, with the CAS registry number 494-99-5, is also known as 4-Methyl-1,2-dimethoxybenzene. It belongs to the product categories of Aromatic Ethers; Anisoles, Alkyloxy Compounds & Phenylacetates. Its EINECS registry number is 207-796-0. This chemical's molecular formula is C₉H₁₂O₂ and molecular weight is 152.19. What's more, both its IUPAC name and systematic name are the same which is called 1,2-Dimethoxy-4-methylbenzene. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 3,4-Dimethoxytoluene are: (1)ACD/LogP: 2.176; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.53; (6)ACD/BCF (pH 7.4): 26.53; (7)ACD/KOC (pH 5.5): 363.64; (8)ACD/KOC (pH 7.4): 363.64; (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: 1.49; (14)Molar Refractivity: 44.435 cm³; (15)Molar Volume: 153.713 cm³; (16)Polarizability: 17.615×10^-24cm³; (17)Surface Tension: 29.508 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 72.574 °C; (20)Enthalpy of Vaporization: 43.783 kJ/mol; (21)Boiling Point: 219.999 °C at 760 mmHg; (22)Vapour Pressure: 0.171 mmHg at 25 °C.

Preparation of 3,4-Dimethoxytoluene: this chemical can be prepared by 4-acetoxymethyl-1,2-dimethoxy-benzene. This reaction needs reagents NiCl₂, NaBH₄ and solvent methanol at ambient temperature. The reaction time is 5 min. The yield is 91 %.

Uses of 3,4-Dimethoxytoluene: (1) it is used as intermediates in organic synthesis; (2) it is used to produce other chemicals. For example, it can produce 2-bromo-4,5-dimethoxy-toluene. The reaction occurs with reagent Br₂ and solvent CCl₄ at ambient temperature. The yield is 90 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(c(c1)OC)OC
(2) InChI: InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
(3) InChIKey: GYPMBQZAVBFUIZ-UHFFFAOYSA-N