3,4,5-Trimethylbenzyl alcohol

Base Information

• Chemical Name: 3,4,5-Trimethylbenzyl alcohol
• CAS No.: 39126-11-9
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• DSSTox Substance ID: DTXSID50400233
• Nikkaji Number: J702.232H
• Wikidata: Q82203102
• Mol file: 39126-11-9.mol

Synonyms:(3,4,5-trimethylphenyl)methanol;3,4,5-TRIMETHYLBENZYL ALCOHOL;39126-11-9;SCHEMBL95656;DTXSID50400233;AKOS006273033;EN300-254216;Z1198151784

Chemical Property of 3,4,5-Trimethylbenzyl alcohol

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C)C)CO

Technology Process of 3,4,5-Trimethylbenzyl alcohol

There total 6 articles about 3,4,5-Trimethylbenzyl 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:

1,2,3,5-Tetramethylbenzene (527-53-7) → 2,4,6-trimethylbenzyl alcohol (4170-90-5) + 3,4,5-trimethylbenzyl alcohol (39126-11-9) + (2,3,5-trimethylphenyl)methyl alcohol (50849-01-9)

Guidance literature:

With lithium aluminium tetrahydride; ammonium cerium(IV) nitrate; In acetic acid; at 60 ℃; for 0.666667h; Product distribution; various metal ions; variation of condition; NBS, AIBN;

DOI:10.1021/jo01307a034

Reference yield:

3,4,5-trimethylbenzoic acid (1076-88-6) → 3,4,5-trimethylbenzyl alcohol (39126-11-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1246/bcsj.42.2618

Reference yield:

3,4,5-trimethylacetophenone (2047-21-4) → 3,4,5-trimethylbenzyl alcohol (39126-11-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOCl

2: LiAlH₄

With sodium hypochlorite; lithium aluminium tetrahydride; 1: Oxidation / 2: Reduction;

DOI:10.1021/jp0021042

upstream raw materials:

3,4,5-trimethylbenzoic acid

1,2,3,5-Tetramethylbenzene

2,6-dimethyl-1,4-benzoquinone

methyllithium

Downstream raw materials:

3,4,5-trimethylbenzaldehyde

3,4,5-Trimethylbenzylnitrat

3,4,5-trimethylbenzyl chloride

3,4,5-Trimethylbenzyl bromide