2-(4-Methylphenyl)ethanol

Base Information

• Chemical Name: 2-(4-Methylphenyl)ethanol
• CAS No.: 699-02-5
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29062990
• European Community (EC) Number: 211-824-7
• NSC Number: 54360,5295
• UNII: GG36R9LNV8
• DSSTox Substance ID: DTXSID6061020
• Nikkaji Number: J60.248E
• Wikidata: Q72494539
• Mol file: 699-02-5.mol

Synonyms:699-02-5;2-(4-Methylphenyl)ethanol;2-(p-Tolyl)ethanol;4-Methylphenethyl alcohol;2-p-Tolylethanol;Benzeneethanol, 4-methyl-;p-Methylphenethyl alcohol;4-Methylbenzeneethanol;Phenethyl alcohol, p-methyl-;p-Methylphenylethyl alcohol;2-(p-Methylphenyl)ethanol;2-(4-Methylphenyl)ethyl Alcohol;NSC 5295;NSC 54360;GG36R9LNV8;NSC-5295;EINECS 211-824-7;MFCD00002904;NSC-54360;AI3-05848;p-Methylphenylethylalcohol;4-methyl-benzeneethanol;2-(4-methylphenyl)ethan-1-ol;4-methylphenethanol;2-p-tolyl-ethanol;2 - p - tolylethanol;2-P-CRESYLETHANOL;UNII-GG36R9LNV8;p-methyl phenyl beta ethanol;SCHEMBL20413;2-(4-methylphenyl)-1-ethanol;DTXSID6061020;4-Methylphenethyl alcohol, 99%;NSC5295;P-(2-HYDROXYETHYL)TOLUENE;NSC54360;4-methyl-1-(2-hydroxyethyl)benzene;CK2469;AKOS009156892;CS-W018328;1-(2-hydroxy-ethyl)-4-methyl-benzene;AS-45908;SY036805;FT-0619097;M2298;EN300-79135;A836691;W-203559;Z397587076

Chemical Property of 2-(4-Methylphenyl)ethanol

Chemical Property:

• Appearance/Colour: Clear colorless to faintly yellow liquid
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 243.5 °C at 760 mmHg
• PKA: 14.92±0.10(Predicted)
• Flash Point: 107.2 °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: 82.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(p-Tolyl)ethanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CCO
• Uses: 4-Methylphenethyl alcohol was used in the determination of adducts of 1,2- and 1,4-benzoquinone with cysteine residues of hemoglobin and albumin.

Technology Process of 2-(4-Methylphenyl)ethanol

There total 58 articles about 2-(4-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: 99.0%

2-(4-methylphenyl)oxirane (13107-39-6) → 4-Methylphenethyl alcohol (699-02-5)

Guidance literature:

With aluminum oxide; sodium tetrahydroborate; palladium dichloride; In hexane; water; at 30 ℃; for 1h;

DOI:10.1080/00397910903079607

Reference yield: 98.0%

methyl p-tolylacetate (23786-13-2) → 4-Methylphenethyl alcohol (699-02-5)

Guidance literature:

methyl p-tolylacetate; 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: 98.0%

potassium trifluoro(4-methylphenethyl)borate (1431794-52-3) → 4-Methylphenethyl alcohol (699-02-5)

Guidance literature:

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

DOI:10.1021/acs.orglett.8b02095

upstream raw materials:

oxirane

4-methylphenylmagnesium iodide

toluene

para-methylphenylmagnesium bromide

Downstream raw materials:

chloromethyl-(4-methyl-phenethyl)-ether

1-ethenyl-4-methylbenzene

2-(4-methylphenyl)ethyl bromide

p-methyl-2-phenylethyl chloride

Refernces

• 1、 Soga, Nene,Yoshiki, Tomo,Sato, Aoi,Kawamoto, Takuji,Ryu, Ilhyong,Matsubara, Hiroshi. "Borane evolution and its application to organic synthesis using the phase-vanishing method". supporting information. . Retrieved 2021/03/26.
• 2、 Thiyagarajan, Subramanian,Gunanathan, Chidambaram. "Ruthenium-Catalyzed Selective Hydrogenation of Epoxides to Secondary Alcohols". supporting information. p. 9774 - 9778. Retrieved 2019/12/02.