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CAS No.: | 4912-58-7 |
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Name: | 3-ETHOXY-4-HYDROXYBENZYL ALCOHOL |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H12O3 |
Molecular Weight: | 168.192 |
Synonyms: | Benzylalcohol, 3-ethoxy-4-hydroxy- (7CI,8CI);2-Ethoxy-4-(hydroxymethyl)phenol;3-Ethoxy-4-hydroxybenzenemethanol;3-Ethoxy-4-hydroxybenzyl alcohol;Ethylvanillyl alcohol;p-(Hydroxymethyl)guethol; |
Density: | 1.182 g/cm3 |
Melting Point: | 73-75 °C |
Boiling Point: | 323.3 °C at 760 mmHg |
Flash Point: | 149.3 °C |
PSA: | 49.69000 |
LogP: | 1.28320 |
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The Benzenemethanol,3-ethoxy-4-hydroxy-, with the CAS registry number 4912-58-7, is also known as 3-Ethoxy-4-hydroxybenzenemethanol. It belongs to the product category of Benzhydrols, Benzyl & Special Alcohols. This chemical's molecular formula is C9H12O3 and molecular weight is 168.19. What's more, its systematic name is 2-ethoxy-4-(hydroxymethyl)phenol.
Physical properties of Benzenemethanol,3-ethoxy-4-hydroxy- are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.5; (6)ACD/BCF (pH 7.4): 1.5; (7)ACD/KOC (pH 5.5): 46.52; (8)ACD/KOC (pH 7.4): 46.39; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 45.89 cm3; (15)Molar Volume: 142.1 cm3; (16)Polarizability: 18.19×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 149.3 °C; (20)Enthalpy of Vaporization: 59.67 kJ/mol; (21)Boiling Point: 323.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000109 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-ethoxy-4-hydroxy-benzaldehyde at the temperature of 10 - 20 °C. This reaction will need reagents sodium borohydride, 1.1M sodium hydroxide and solvent H2O with the reaction time of 30 min. The yield is about 85%.
Uses of Benzenemethanol,3-ethoxy-4-hydroxy-: it can be used to produce (+/-)-2-(2-ethoxy-4-hydroxymethylphenoxy)propionic acid by heating. It will need reagent aq. 12M sodium hydroxide and solvent ethanol with the reaction time of 7 hours. The yield is about 88%.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1O)CO)CC
(2)InChI: InChI=1S/C9H12O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-5,10-11H,2,6H2,1H3
(3)InChIKey: ULCZGZGLABEWDG-UHFFFAOYSA-N