p-Propylphenyl acetate

Base Information

• Chemical Name: p-Propylphenyl acetate
• CAS No.: 61824-46-2
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2915390090
• European Community (EC) Number: 263-249-6
• UNII: 2N6X7RV8LE
• DSSTox Substance ID: DTXSID50210814
• Nikkaji Number: J306.907I
• Wikidata: Q83085605
• ChEMBL ID: CHEMBL458549
• Mol file: 61824-46-2.mol

Synonyms:p-Propylphenyl acetate;4-propylphenyl acetate;61824-46-2;2N6X7RV8LE;Phenol, 4-propyl-, acetate;4-n-Propylphenyl acetate;EINECS 263-249-6;UNII-2N6X7RV8LE;(4-propylphenyl) acetate;CHEMBL458549;SCHEMBL3899589;Phenol, 4-propyl-, 1-acetate;DTXSID50210814;NAFYQPWOHMIWTQ-UHFFFAOYSA-N;AKOS002952471

Chemical Property of p-Propylphenyl acetate

Chemical Property:

• Vapor Pressure: 0.0195mmHg at 25°C
• Boiling Point: 252.3°C at 760 mmHg
• Flash Point: 95.9°C
• PSA: 26.30000
• Density: 1.01g/cm³
• LogP: 2.56440
• XLogP3: 3.1
• 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-PROPYLPHENYL) ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)OC(=O)C

Technology Process of p-Propylphenyl acetate

There total 4 articles about p-Propylphenyl 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: 83.0%

4-n-Propylphenol (645-56-7) + acetyl chloride (75-36-5) → 4-propylphenyl acetate (61824-46-2)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

DOI:10.1021/jm701626z

Reference yield:

[bis(acetoxy)iodo]benzene (3240-34-4) + phenylpropane (103-65-1) → 4-propylphenyl acetate (61824-46-2) + m-propylphenyl acetate + o-propylphenyl acetate (35922-83-9)

Guidance literature:

With chloro{1-tert-butyl-3-[(p-tolylsulfinyl)methyl]imidazol-2-ylidene}palladium(II); In acetic anhydride; acetic acid; at 95 ℃; for 16h; Overall yield = 63%; Overall yield = 27 mg; Sealed tube;

DOI:10.1021/om400981x

Reference yield:

4-n-Propylphenol (645-56-7) + acetic anhydride (108-24-7) → 4-propylphenyl acetate (61824-46-2)

Guidance literature:

With pyridine;

DOI:10.1021/jm020839k

upstream raw materials:

4-n-Propylphenol

acetyl chloride

acetic anhydride

[bis(acetoxy)iodo]benzene

Downstream raw materials:

(R)-1-phenyl-2,2,2-trichloroethyl (R)-1-(4-acetoxyphenyl)propylcarbamate

C₂₀H₂₀Cl₃NO₄

(+/-)-2',3'-dihydroacetoxychavicol acetate

4-(1-oxopropyl)phenyl acetate