2-(3-Methylphenyl)ethanol

Base Information

• Chemical Name: 2-(3-Methylphenyl)ethanol
• CAS No.: 1875-89-4
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29062990
• European Community (EC) Number: 217-508-5
• UNII: Z8WAA9JXV7
• DSSTox Substance ID: DTXSID3062029
• Nikkaji Number: J119.463A
• Wikidata: Q72494534
• ChEMBL ID: CHEMBL4585079
• Mol file: 1875-89-4.mol

Synonyms:2-(3-methylphenyl)ethanol

Chemical Property of 2-(3-Methylphenyl)ethanol

Chemical Property:

• Appearance/Colour: Clear slightly yellow liquid
• Vapor Pressure: 0.0172mmHg at 25°C
• Refractive Index: n20/D 1.529(lit.)
• Boiling Point: 243.498 °C at 760 mmHg
• PKA: 14.97±0.10(Predicted)
• Flash Point: 109.444 °C
• PSA: 20.23000
• Density: 1.001 g/cm³
• LogP: 1.52980
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

99% ^*data from raw suppliers

2-(3-Methylphenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)CCO
• Uses: 3-Methylphenethyl alcohol (2-(3-methylphenyl) ethanol) is commonly used as fragrance ingredient.

Technology Process of 2-(3-Methylphenyl)ethanol

There total 36 articles about 2-(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: 98.0%

methyl 3-methylphenylacetate (53088-69-0) → 2-(3-methylphenyl)ethanol (1875-89-4)

Guidance literature:

methyl 3-methylphenylacetate; With diethylzinc; lithium chloride; In tetrahydrofuran; hexane; at 20 ℃; for 6h; Inert atmosphere;

With sodium hydroxide; In tetrahydrofuran; hexane; water; at 20 ℃; for 8h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201406176

Reference yield: 97.0%

potassium trifluoro(3-methylphenethyl)borate (1431794-51-2) → 2-(3-methylphenyl)ethanol (1875-89-4)

Guidance literature:

With rose bengal; triethylamine; In ethanol; at 25 ℃; for 12h; Schlenk technique; Irradiation;

DOI:10.1021/acs.orglett.8b02095

Reference yield: 95.0%

1-ethynyl-3-methyl-benzene (766-82-5) → 2-(3-methylphenyl)ethanol (1875-89-4)

Guidance literature:

With [2,2]bipyridinyl; formic acid; (η⁵-cyclopentadienyl) (η⁶-naphthalene)ruthenium hexafluorophosphate; water; In tetrahydrofuran; at 55 ℃; for 48h;

DOI:10.1038/nchem.1799

upstream raw materials:

oxirane

m-tolylmagnesium bromide

m-methylphenylacetic acid

2-chloro-ethanol

Downstream raw materials:

3-methylstyrene

1-(2-bromoethyl)-3-methylbenzene

1-(2-chloroethyl)-3-methylbenzene

2-(3-Methylphenyl)ethylhydrazine