4-(Methylthio)-6-(hydroxymethyl)-o-cresol

Base Information

• Chemical Name: 4-(Methylthio)-6-(hydroxymethyl)-o-cresol
• CAS No.: 32867-65-5
• Molecular Formula: C9H12 O2 S
• Molecular Weight: 184.26
• Hs Code.: 2930909090
• European Community (EC) Number: 636-502-7
• NSC Number: 157317
• DSSTox Substance ID: DTXSID20303202
• Nikkaji Number: J60.256F
• Wikidata: Q82048366
• Mol file: 32867-65-5.mol

Synonyms:32867-65-5;4-(Methylthio)-6-(hydroxymethyl)-o-cresol;2-(hydroxymethyl)-6-methyl-4-(methylthio)phenol;2-(hydroxymethyl)-6-methyl-4-methylsulfanylphenol;2-(Hydroxymethyl)-6-methyl-4-(methylsulfanyl)phenol;NSC157317;SCHEMBL2426990;DTXSID20303202;KXBVWXBKFNILQH-UHFFFAOYSA-N;MFCD00029636;AKOS003368337;NSC-157317;SB84307;LS-07335;CS-0320371;FT-0639062;2-Hydroxy-3-methyl-5-(methylthio)-benzyl alcohol;A821474;2-(hydroxymethyl)-6-methyl-4-methylsulfanyl-phenol;2-(Hydroxymethyl)-6-methyl-4-(methylsulfanyl)phenol #

Chemical Property of 4-(Methylthio)-6-(hydroxymethyl)-o-cresol

Chemical Property:

• Vapor Pressure: 0.000554mmHg at 25°C
• Boiling Point: 302.4°Cat760mmHg
• Flash Point: 147.4°C
• PSA: 65.76000
• Density: 1.25g/cm³
• LogP: 1.91480
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.05580079
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

2-(hydroxymethyl)-6-methyl-4-(methylthio)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)CO)SC

Technology Process of 4-(Methylthio)-6-(hydroxymethyl)-o-cresol

There total 1 articles about 4-(Methylthio)-6-(hydroxymethyl)-o-cresol 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:

→ 2-(hydroxymethyl)-6-methyl-4-(methylthio)phenol (32867-65-5)

Guidance literature:

4-Methylthio-o-kresol, Formaldehyd/NaOH/H2O;

Reference yield: 55.0%

2-(hydroxymethyl)-6-methyl-4-(methylthio)phenol (32867-65-5) → 2-(hydroxymethyl)-6-methyl-4-(methylsulfonyl)phenol (73048-88-1)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 45 ℃; for 6h;

DOI:10.1021/jo01297a010

Reference yield:

2-(hydroxymethyl)-6-methyl-4-(methylthio)phenol (32867-65-5) → 2-hydroxy-3-methyl-5-(methylsulfonyl)benzaldehyde (73048-89-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / H₂O₂ (30percent) / acetic acid / 6 h / 45 °C

2: 64 percent / 2,3-dichloro-5,6-dicyanobenzoquinone (DDQ) / dioxane / 16 h / Heating

With dihydrogen peroxide; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; acetic acid;

DOI:10.1021/jo01297a010

Downstream raw materials:

2-(hydroxymethyl)-6-methyl-4-(methylsulfonyl)phenol

2-hydroxy-3-methyl-5-(methylsulfonyl)benzaldehyde

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