2,3,5-TRIMETHYLANISOLE

The CAS register number of 2,3,5-Trimethylanisole is 20469-61-8. It also can be called as Benzene,1-methoxy-2,3,5-trimethyl- and the IUPAC name about this chemical is 1-methoxy-2,3,5-trimethylbenzene. The molecular formula about this chemical is C₁₀H₁₄O and molecular weight is 150.22. It belongs to the following product categories which include Aromatics Compounds; Anisoles, Alkyloxy Compounds & Phenylacetates; Aromatics; Intermediates and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about 2,3,5-Trimethylanisole are: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 3.51; (3)ACD/LogD (pH 7.4): 3.51; (4)ACD/BCF (pH 5.5): 275.77; (5)ACD/BCF (pH 7.4): 275.77; (6)ACD/KOC (pH 5.5): 1943.36; (7)ACD/KOC (pH 7.4): 1943.36; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23Ų; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 47.4 cm³; (13)Molar Volume: 162.2 cm³; (14)Polarizability: 18.79x10^-24cm³; (15)Surface Tension: 29.1 dyne/cm; (16)Flash Point: 80.9 °C; (17)Enthalpy of Vaporization: 43.87 kJ/mol; (18)Boiling Point: 220.9 °C at 760 mmHg; (19)Vapour Pressure: 0.163 mmHg at 25°C.

Preparation: this chemical can be prepared by sulfuric acid dimethyl ester and 2,3,5-trimethyl-phenol. This reaction will need reagent KOH. The reaction time is 30 min at heating. The yield is about 61%.

Uses of 2,3,5-Trimethylanisole: it can be used to produce 4,4'-dimethoxy-2,3,6,2',3',6'-hexamethyl-biphenyl. This reaction will need reagent (CF₃CO₂)₃Tl and solvent trifluoroacetic acid.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(cc(c1C)C)C)C
(2)InChI: InChI=1/C10H14O/c1-7-5-8(2)9(3)10(6-7)11-4/h5-6H,1-4H3
(3)InChIKey: AWONIZVBKXHWJP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H14O/c1-7-5-8(2)9(3)10(6-7)11-4/h5-6H,1-4H3
(5)Std. InChIKey: AWONIZVBKXHWJP-UHFFFAOYSA-N