1-(3-Methylphenyl)ethanol

Base Information

• Chemical Name: 1-(3-Methylphenyl)ethanol
• CAS No.: 7287-81-2
• Molecular Formula: C9H12 O
• Molecular Weight: 136.194
• European Community (EC) Number: 230-715-5,642-535-8
• DSSTox Substance ID: DTXSID70993652
• Nikkaji Number: J212.284G
• Mol file: 7287-81-2.mol

Synonyms:1-(3-methylphenyl)ethanol;7287-81-2;1-(m-Tolyl)ethanol;25675-28-9;1-m-tolylethanol;1-(3-METHYLPHENYL)ETHAN-1-OL;alpha-3-Dimethylbenzyl alcohol;EINECS 230-715-5;1-m-tolyl-ethanol;a,3-Dimethylbenzenemethanol;1-(m-methylphenyl)ethanol;m-TOLYLMETHYLCARBINOL;SCHEMBL429838;1-(3-methylphenyl)-1-ethanol;SCHEMBL14087826;DTXSID70993652;BCA15453;MFCD00046635;AKOS005207286;SB46950;1-(3-Methylphenyl)ethanol, AldrichCPR;AS-40104;CS-0153227;FT-0605634;EN300-80998;Z445987122

Chemical Property of 1-(3-Methylphenyl)ethanol

Chemical Property:

• Melting Point: 112 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.5240
• Boiling Point: 215.7°Cat760mmHg
• PKA: 14.70±0.20(Predicted)
• Flash Point: 104.2°C
• PSA: 20.23000
• Density: 0.995g/cm³
• LogP: 2.04830
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Methylphenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(C)O

Technology Process of 1-(3-Methylphenyl)ethanol

There total 30 articles about 1-(3-Methylphenyl)ethanol 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: 95.0%

1-Methyl-3-ethylbenzene (620-14-4) → 1-(m-methylphenyl)ethanol (7287-81-2,25675-28-9,42070-91-7,51154-53-1)

Guidance literature:

With C₂₀H₂₄B₁₀Cl₂FeN₈O₄; dihydrogen peroxide; In methanol; at 20 ℃; for 6h;

Reference yield: 82.0%

1-ethynyl-3-methyl-benzene (766-82-5) → 1-(m-methylphenyl)ethanol (7287-81-2,25675-28-9,42070-91-7,51154-53-1)

Guidance literature:

With silver hexafluoroantimonate; 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); Au(IPr)Cl; water; In isopropyl alcohol; at 70 ℃; for 48h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja307145e

Reference yield: 59.0%

3-methylstyrene (100-80-1) → 1-(m-methylphenyl)ethanol (7287-81-2,25675-28-9,42070-91-7,51154-53-1)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); 1-hydroxytetraphenyl-cyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); water; p-benzoquinone; In methanol; isopropyl alcohol; at 85 ℃; for 36h; regioselective reaction; Inert atmosphere; Glovebox;

DOI:10.1039/c3cc48810a

upstream raw materials:

acetaldehyde

m-tolylmagnesium bromide

methyl magnesium iodide

m-tolyl aldehyde

Downstream raw materials:

1-(1-chloroethyl)-3-methylbenzene

3-methylstyrene

3-phenyl-1-(m-tolyl)propan-1-ol

1-(3-methylphenyl)-3-phenylpropan-1-one