3-Ethoxy-4-hydroxybenzyl alcohol

Base Information

• Chemical Name: 3-Ethoxy-4-hydroxybenzyl alcohol
• CAS No.: 4912-58-7
• Molecular Formula: C9H12O3
• Molecular Weight: 168.192
• Hs Code.: 2909500000
• European Community (EC) Number: 674-192-5
• UNII: WF0E3SL79L
• DSSTox Substance ID: DTXSID50344547
• Nikkaji Number: J2.414.777K
• Wikidata: Q82116513
• Mol file: 4912-58-7.mol

Synonyms:2-Ethoxy-4-(hydroxymethyl)phenol;3-Ethoxy-4-hydroxybenzyl alcohol;4912-58-7;Benzenemethanol, 3-ethoxy-4-hydroxy-;Ethyl vanillyl alcohol;WF0E3SL79L;UNII-WF0E3SL79L;SCHEMBL586875;FEMA NO. 4893;3-ethoxy-4-hydroxybenzenemethanol;DTXSID50344547;2-Ethoxy-4-(hydroxymethyl)phenol #;MFCD00060359;STK512667;AKOS000249531;SB85236;CS-0299301;FT-0676195;N,N-BIS(2-CHLOROETHYL)CARBAMOYLCHLORIDE;EN300-1263453

Chemical Property of 3-Ethoxy-4-hydroxybenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Melting Point: 73-75 °C
• Refractive Index: 1.558
• Boiling Point: 323.3 °C at 760 mmHg
• Flash Point: 149.3 °C
• PSA: 49.69000
• Density: 1.182 g/cm³
• LogP: 1.28320
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

99.9% ^*data from raw suppliers

3-Ethoxy-4-hydroxybenzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)CO)O

Technology Process of 3-Ethoxy-4-hydroxybenzyl alcohol

There total 4 articles about 3-Ethoxy-4-hydroxybenzyl alcohol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

4-hydroxy-3-ethoxybenzaldehyde (121-32-4) → 3-ethoxy-4-hydroxy-benzyl alcohol (4912-58-7)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; In water; at 10 - 20 ℃; for 0.5h;

DOI:10.1039/P19810001630

Reference yield:

4-hydroxy-3-ethoxybenzaldehyde (121-32-4) → 2-ethoxy-4-methylphenol (2563-07-7) + 3-ethoxy-4-hydroxy-benzyl alcohol (4912-58-7)

Guidance literature:

With hydrogen; In water monomer; at 90 ℃; for 12h; under 15001.5 Torr; Temperature; Catalytic behavior; Autoclave;

DOI:10.1039/d1gc04243b

Reference yield:

4-hydroxy-3-ethoxybenzaldehyde (121-32-4) + ethanol (64-17-5) → 3-ethoxy-4-hydroxy-benzyl alcohol (4912-58-7)

Guidance literature:

at 75 ℃; under 58840.6 Torr; Hydrogenation;

upstream raw materials:

4-hydroxy-3-ethoxybenzaldehyde

ethanol

Downstream raw materials:

(+/-)-2-(2-ethoxy-4-hydroxymethylphenoxy)propionic acid

2-ethoxy-4-(methoxymethyl)phenol

2-ethoxy-4-ethoxymethylphenol

2-ethoxy-4-isopropoxymethylphenol

Refernces

• 1、 Britton, Edward,Ansell, Richard J.,Howard, Mark J.,Hardie, Michaele J.. "Self-Assembly and Host-Guest Interactions of Pd3L2Metallo-cryptophanes with Photoisomerizable Ligands". supporting information. p. 12912 - 12923. Retrieved 2021/08/31.
• 2、 Collet, Andre,Gabard, Jacqueline,Jacques, Jean,Cesario, Michele,Guilhem, Jean,Pascard, Claudine. "Synthesis and Absolute Configuration of Chiral (C3) Cyclotriveratrylene Derivatives. Crystal Structure of (M)-(-)-2,7,12-Triethoxy-3,8,13-tris--10,15-dihydro-5H-tribenzocyclononene". . p. 1630 - 1638. Retrieved 2007/10/02.