CAS No.4912-58-7,3-ETHOXY-4-HYDROXYBENZYL ALCOHOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4912-58-7
Name:	3-ETHOXY-4-HYDROXYBENZYL ALCOHOL
Article Data:	6

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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Specification

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%.

Benzenemethanol,3-ethoxy-4-hydroxy- can be prepared by 3-ethoxy-4-hydroxy-benzaldehyde at the temperature of 10 - 20 °C

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%.

Benzenemethanol,3-ethoxy-4-hydroxy- can be used to produce (+/-)-2-(2-ethoxy-4-hydroxymethylphenoxy)propionic acid by heating

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