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CAS No.: | 61040-78-6 |
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Name: | 2,4,6-TRIMETHOXYBENZYL ALCOHOL |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H14O4 |
Molecular Weight: | 198.219 |
Synonyms: | 2,4,6-Trimethoxybenzenemethanol;2,4,6-Trimethoxybenzyl alcohol; |
Density: | 1.131 g/cm3 |
Melting Point: | 58-61°C |
Boiling Point: | 326.2 °C at 760 mmHg |
Flash Point: | 151.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
PSA: | 47.92000 |
LogP: | 1.20470 |
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The 2,4,6-Trimethoxybenzyl alcohol with cas registry number of 61040-78-6, belongs to the following product categories: Benzhydrols, Benzyl & Special Alcohols. And its systematic name is (2,4,6-trimethoxyphenyl)methanol.
Physical properties about this chemical are: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1.23; (6)ACD/BCF (pH 7.4): 1.23; (7)ACD/KOC (pH 5.5): 40.39; (8)ACD/KOC (pH 7.4): 40.39; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 52.73 cm3; (15)Molar Volume: 175.2 cm3; (16)Polarizability: 20.9×10-24cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Enthalpy of Vaporization: 60 kJ/mol; (19)Vapour Pressure: 8.92E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,4,6-trimethoxy-benzaldehyde. This reaction will need reagent NaBH4, 1N NaOH and solvent methanol. The reaction time is 2 hour(s) with reaction temperature of 25 ℃. The yield is about 92%.
You can still convert the following datas into molecular structure:
(1)SMILES:O(c1cc(OC)cc(OC)c1CO)C;
(2)InChI:InChI=1/C10H14O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5,11H,6H2,1-3H3;
(3)InChIKey:CFXXBVNHYJQNKS-UHFFFAOYAC;
(4)Std. InChI:InChI=1S/C10H14O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5,11H,6H2,1-3H3;
(5)Std. InChIKey:CFXXBVNHYJQNKS-UHFFFAOYSA-N.