Majantol

Base Information

• Chemical Name: Majantol
• CAS No.: 103694-68-4
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• European Community (EC) Number: 403-140-4,687-589-3
• UNII: 7S411YY2VY
• DSSTox Substance ID: DTXSID0051520
• Nikkaji Number: J1.670.186F
• Wikidata: Q27268778
• Mol file: 103694-68-4.mol

Synonyms:majantol

Chemical Property of Majantol

Chemical Property:

• Vapor Pressure: 0.00224mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 276.9 °C at 760 mmHg
• PKA: 15.13±0.10(Predicted)
• Flash Point: 112.4 °C
• PSA: 20.23000
• Density: 0.96 g/cm³
• LogP: 2.55600
• Storage Temp.: 2-8°C
• Water Solubility.: 265.8mg/L at 25℃
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

99.9% ^*data from raw suppliers

2,2-Dimethyl-3-(m-tolyl)propan-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 52/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)CC(C)(C)CO
• Uses: 3-(2,2-Dimethyl-3-hydroxypropyl)toluene is used for cosmetics via layer-by-layer assembled multilayer shells for encapsulation and release of fragrance.

Technology Process of Majantol

There total 4 articles about Majantol 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: 100.0%

I(1-)*C19H26NO2(1+) → 2,2-dimethyl-3-(3-methylphenyl)-propan-1-ol (103694-68-4) + 4-Dihydroxymethyl-1-methyl-pyridinium; iodide

Guidance literature:

With water; In [D₃]acetonitrile; at 30 ℃; Time;

DOI:10.1039/c5cc00099h

Reference yield:

2,2-dimethyl-3-(3-methylphenyl)-propionaldehyde (107737-97-3) → 2,2-dimethyl-3-(3-methylphenyl)-propan-1-ol (103694-68-4)

Guidance literature:

With hydrogenchloride; sodium borohydrid; In diethyl ether; isopropyl alcohol;

Reference yield:

→ 2,2-dimethyl-3-m-tolyl-propylamine + 2,2-dimethyl-3-(3-methylphenyl)-propan-1-ol (103694-68-4)

Guidance literature:

With ethanol; sodium;

upstream raw materials:

ethanol

2,2-dimethyl-3-m-tolyl-propionic acid amide

2,2-dimethyl-3-(3-methylphenyl)-propionaldehyde

Downstream raw materials:

2,2-dimethyl-3-(3-methylcyclohexyl)propan-1-ol