4-(4-Hydroxy-3-(hydroxymethyl)-5-methylbenzyl)-2-(hydroxymethyl)-6-methylphenol

Base Information

• Chemical Name: 4-(4-Hydroxy-3-(hydroxymethyl)-5-methylbenzyl)-2-(hydroxymethyl)-6-methylphenol
• CAS No.: 6641-13-0
• Molecular Formula: C17H20O4
• Molecular Weight: 288.343
• NSC Number: 48435
• DSSTox Substance ID: DTXSID60286964
• Nikkaji Number: J2.105.991I
• Wikidata: Q82022837
• ChEMBL ID: CHEMBL218958
• Mol file: 6641-13-0.mol

Synonyms:MLS002667186;NSC-48435;6641-13-0;CHEMBL218958;NSC48435;SCHEMBL209447;DTXSID60286964;DOMBBFBDIIXIKP-UHFFFAOYSA-N;HMS3089G23;BDBM50200090;4-(4-hydroxy-3-(hydroxymethyl)-5-methylbenzyl)-2-(hydroxymethyl)-6-methylphenol;SMR001556958;4,4'-methylene bis(2-methyl-6-hydroxymethylphenol)

Chemical Property of 4-(4-Hydroxy-3-(hydroxymethyl)-5-methylbenzyl)-2-(hydroxymethyl)-6-methylphenol

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 288.13615911
• Heavy Atom Count: 21
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)CO)CC2=CC(=C(C(=C2)C)O)CO

Technology Process of 4-(4-Hydroxy-3-(hydroxymethyl)-5-methylbenzyl)-2-(hydroxymethyl)-6-methylphenol

There total 9 articles about 4-(4-Hydroxy-3-(hydroxymethyl)-5-methylbenzyl)-2-(hydroxymethyl)-6-methylphenol 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ortho-cresol (95-48-7,77504-84-8) → 6,6'-dihydroxy-5,5'-dimethyl-3,3'-methanediyl-di-benzyl alcohol (6641-13-0)

Guidance literature:

With sodium hydroxide; at 25 - 30 ℃;

DOI:10.1039/jr9440000400

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4,6-bis(hydroxymethyl)-2-methylphenol (7451-94-7) → 6,6'-dihydroxy-5,5'-dimethyl-3,3'-methanediyl-di-benzyl alcohol (6641-13-0)

Guidance literature:

With sodium hydroxide; at 40 - 50 ℃;

Reference yield:

tetrachloromethane (56-23-5) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + water (7732-18-5) + ortho-cresol (95-48-7,77504-84-8) → 3-methylsalicyl alcohol (22470-99-1) + 4-(hydroxymethyl)-2-methylphenol (18299-15-5) + 4,6-bis(hydroxymethyl)-2-methylphenol (7451-94-7) + 6,6'-dihydroxy-5,5'-dimethyl-3,3'-methanediyl-di-benzyl alcohol (6641-13-0)

Guidance literature:

at 10 - 15 ℃;

upstream raw materials:

formaldehyd

bis(4-hydroxy-3-methylphenyl)methane

4,6-bis(hydroxymethyl)-2-methylphenol

ortho-cresol

Downstream raw materials:

2,2'-dimethyl-6,6'-dinitro-4,4'-methanediyl-di-phenol

2.6-dimethylphenol

Mesitol

4-hydroxy-5-methylisophthalaldehyde