| Identification | |
| Name: | Benzoic acid,2,4-dihydroxy-3,6-dimethyl-, methyl ester |
| Synonyms: | Atraricacid (6CI);b-Resorcylicacid, 3,6-dimethyl-, methyl ester (7CI,8CI);Everniate;Evernyl;LRG 201;Methyl 2,4-dihydroxy-3,6-dimethylbenzoate;Methyl3,6-dimethyl-2,4-dihydroxybenzoate;Methyl 3,6-dimethyl-b-resorcylate;Methyl atrarate;Methyl b-orcinolcarboxylate;Methyl b-orsellinate;Moss Synth;Moussecristal;Oakmoss synthetic;Veramoss; |
| CAS: | 4707-47-5 |
| EINECS: | 225-193-0 |
| Molecular Formula: | C10H12O4 |
| Molecular Weight: | 196.20 |
| InChI: | InChI=1/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 141-146 °C(lit.) |
| Density: | 1.251 g/cm3 |
| Refractive index: | 1.57 |
| Specification: |
The Methyl 2,4-dihydroxy-3,6-dimethylbenzoate, with the CAS registry number 4707-47-5 and EINECS registry number 225-193-0, is also called 2,4-Dihydroxy-3,6-dimethyl-benzoic acid methyl ester. The molecular formula of the chemical is C10H12O4. And the chemical belongs to the following product categories: Alphabetical Listings; Flavors and Fragrances; M-N. The characteristics of this chemical are as followings: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 84.52; (6)ACD/BCF (pH 7.4): 79.68; (7)ACD/KOC (pH 5.5): 833.35; (8)ACD/KOC (pH 7.4): 785.6; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 51.43 cm3; (15)Molar Volume: 156.7 cm3; (16)Polarizability: 20.39×10-24cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.251 g/cm3; (19)Flash Point: 143.9 °C; (20)Enthalpy of Vaporization: 63.03 kJ/mol; (21)Boiling Point: 360.7 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-05 mmHg at 25°C. Preparation of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate: This chemical can be prepared by 3-formyl-2,4-dihydroxy-6-methyl-benzoic acid methyl ester. The reaction will need reagent Zn(Hg) and HCl, and the menstruum methanol. The yield is about 16%. Uses of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate: It can react with 2,4-dimethoxy-3,6-dimethyl-benzoic acid to produce 4-(2,4-dimethoxy-3,6-dimethyl-benzoyloxy)-2-hydroxy-3,6-dimethyl-benzoic acid methyl ester. This reaction will need reagent (CF3-CO)2O, and the menstruum toluene. The temperature of the reaction is 20°C, and the yield is about 69%. You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. Addtionally, the following datas could be converted into the molecular structure: |
| Safety Data | |
 |
|
