2-(4-octylphenyl)ethyl Acetate

Base Information

• Chemical Name: 2-(4-octylphenyl)ethyl Acetate
• CAS No.: 162358-04-5
• Molecular Formula: C18H28O2
• Molecular Weight: 276.419
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID00467356
• Wikidata: Q72497653
• Mol file: 162358-04-5.mol

Synonyms:2-(4-octylphenyl)ethyl Acetate;4-Octylphenethyl acetate;162358-04-5;Benzeneethanol, 4-octyl-, 1-acetate;Acetic Acid 2-(4-Octylphenyl)ethyl Ester;4-Octylphenethylacetate;Benzeneethanol, 4-octyl-,;SCHEMBL4252573;DTXSID00467356;GBRYLJCBBFSRPK-UHFFFAOYSA-N;AKOS022184403;FT-0673246;A882964;J-200140

Chemical Property of 2-(4-octylphenyl)ethyl Acetate

Chemical Property:

• Vapor Pressure: 0.0±0.8 mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 369.3±11.0 oC (760 Torr), Calc.*
• Flash Point: 115.1±17.6 oC, Calc.*
• PSA: 26.30000
• Density: 0.951±0.06 g/cm3 (20 oC 760 Torr), Calc.*
• LogP: 4.69520
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 276.208930132
• Heavy Atom Count: 20
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Octylphenyl)ethylAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)CCOC(=O)C
• Uses: 2-(4-Octylphenyl)ethyl Acetate (cas# 162358-04-5) is a compound useful in organic synthesis.

Technology Process of 2-(4-octylphenyl)ethyl Acetate

There total 7 articles about 2-(4-octylphenyl)ethyl 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: 87.0%

→ acetic acid 2-(4-octylphenyl)ethyl ester (162358-04-5)

Guidance literature:

Reference yield: 82.0%

2-(4-octanoylphenyl)ethyl acetate (162358-03-4) → acetic acid 2-(4-octylphenyl)ethyl ester (162358-04-5)

Guidance literature:

With triethylsilane; trifluoroacetic acid; at 20 ℃; for 3h;

DOI:10.1039/c3cc00181d

Reference yield: 64.0%

octylmagnesium bromide (17049-49-9) + acetic acid 2-[4-(trifluoromethanesulfonyloxy)phenyl]ethyl ester (712223-57-9) → 2-(4-Octylphenyl)ethyl alcohol (162358-05-6) + acetic acid 2-(4-octylphenyl)ethyl ester (162358-04-5)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; iron(III)-acetylacetonate; In tetrahydrofuran; for 1h;

DOI:10.1021/jo049885d

upstream raw materials:

2-(4-octanoylphenyl)ethyl acetate

octylmagnesium bromide

acetic acid 2-[4-(trifluoromethanesulfonyloxy)phenyl]ethyl ester

n-octanoic acid chloride

Downstream raw materials:

2-(4-Octylphenyl)ethyl alcohol

1-methyl-1-(4-octylphenethyl)piperidinium methanesulfonate

1-methyl-1-(4-octylphenethyl)pyrrolidinium methanesulfonate

1-(4-octylphenethyl)azepane