Benzene,2-methoxy-1-methyl-4-(1-methylethyl)- (6379-73-3)

The Carvacryl methyl ether, with the CAS registry number 6379-73-3 and EINECS registry number 228-959-2, has the systematic name of 2-methoxy-1-methyl-4-(propan-2-yl)benzene. And the molecular formula of the chemical is C₁₁H₁₆O. What's more, while dealing with this chemical, you should not breathe gas/fumes/vapor/spray and then try to avoid contacting with skin and eyes.

The characteristics of Carvacryl methyl ether are as followings: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 573.77; (6)ACD/BCF (pH 7.4): 573.77; (7)ACD/KOC (pH 5.5): 3283.27; (8)ACD/KOC (pH 7.4): 3283.27; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 51.94 cm³; (15)Molar Volume: 179.7 cm³; (16)Polarizability: 20.59×10^-24cm³; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 0.913 g/cm³; (19)Flash Point: 74.2 °C; (20)Enthalpy of Vaporization: 43.56 kJ/mol; (21)Boiling Point: 217.7 °C at 760 mmHg; (22)Vapour Pressure: 0.192 mmHg at 25°C.

Preparation of Carvacryl methyl ether: This chemical can be prepared by 1,3,4-trichloro-2-(2-chloro-3-methoxyprop-2-yl)-6-methoxy-5-methylcyclohexa-1,4-diene. The reaction will need reagent lithium, and the menstruum 2-methyl-propan-2-ol and tetrahydrofuran. The reaction time is 1 hour with heating, and the yield is about 69%. 

Uses of Carvacryl methyl ether: It can react with formaldehyde to produce 1-chloromethyl-2-isopropyl-4-methoxy-5-methyl-benzene. This reaction will need reagent conc. HCl. The reaction time is 24 hours , and the yield is about 37%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1cc(ccc1C)C(C)C)C
(2)InChI: InChI=1/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3
(3)InChIKey: YVLHTQPPMZOCOW-UHFFFAOYAC