Benzeneethanol, 4-methyl-, acetate

Base Information

• Chemical Name: Benzeneethanol, 4-methyl-, acetate
• CAS No.: 22532-47-4
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2915390090
• European Community (EC) Number: 245-056-9
• NSC Number: 190956
• UNII: 592WOB8ONU
• DSSTox Substance ID: DTXSID60865056
• Nikkaji Number: J286.235B
• Wikidata: Q82854591
• Mol file: 22532-47-4.mol

Synonyms:22532-47-4;p-Methylphenethyl acetate;4-Methylphenethyl acetate;Benzeneethanol, 4-methyl-, acetate;2-(4-methylphenyl)ethyl acetate;para-Cresyl ethylacetate;Benzeneethanol, 4-methyl-, 1-acetate;Phenethyl alcohol, p-methyl-, acetate;592WOB8ONU;EINECS 245-056-9;NSC-190956;AI3-35605;5184-39-4;4-Methylphenethylacetate;UNII-592WOB8ONU;4-Methylbenzeneethanol acetate;SCHEMBL8652676;DTXSID60865056;NSC190956

Chemical Property of Benzeneethanol, 4-methyl-, acetate

Chemical Property:

• Vapor Pressure: 0.0172mmHg at 25°C
• Boiling Point: 254.5°C at 760 mmHg
• Flash Point: 109.2°C
• PSA: 26.30000
• Density: 1.018g/cm³
• LogP: 2.10060
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

4-Methylphenethylacetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzeneethanol, 4-methyl-, acetate

There total 9 articles about Benzeneethanol, 4-methyl-, acetate 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: 93.0%

4-Methylphenethyl alcohol (699-02-5) + acetic anhydride (108-24-7) → 4-methylphenethyl acetate (22532-47-4)

Guidance literature:

With dmap; In pyridine; at 20 ℃; for 6h;

DOI:10.1039/b303699p

Reference yield: 77.0%

4-Methylphenethyl alcohol (699-02-5) + acetic acid (64-19-7,77671-22-8) → 4-methylphenethyl acetate (22532-47-4)

Guidance literature:

With tetrabutylammomium bromide; oxygen; sodium nitrite; at 70 ℃; for 4h; Green chemistry;

DOI:10.1039/c6ra08672a

Reference yield:

ethene (74-85-1) + mercury(II) diacetate (1600-27-7) + toluene (108-88-3,15644-74-3,16713-13-6) → 4-methylphenethyl acetate (22532-47-4)

Guidance literature:

With phosphoric acid;

DOI:10.1021/ja01555a030

upstream raw materials:

2-(4-methylphenyl)ethyl bromide

potassium acetate

ethene

mercury(II) diacetate

Downstream raw materials:

4-Methylphenethyl alcohol

2,5-diiodo-4-methylphenethyl alcohol