4-Ethylphenyl butyrate

Base Information

• Chemical Name: 4-Ethylphenyl butyrate
• CAS No.: 94087-47-5
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• European Community (EC) Number: 301-938-6
• NSC Number: 6710
• DSSTox Substance ID: DTXSID80240427
• Nikkaji Number: J368.053C
• Wikidata: Q83123279
• Mol file: 94087-47-5.mol

Synonyms:4-Ethylphenyl butyrate;94087-47-5;EINECS 301-938-6;NSC6710;DTXSID80240427;Butanoic acid 4-ethylphenyl ester;NSC 6710;NSC-6710

Chemical Property of 4-Ethylphenyl butyrate

Chemical Property:

• Vapor Pressure: 0.00687mmHg at 25°C
• Boiling Point: 270.4°Cat760mmHg
• Flash Point: 100.5°C
• PSA: 26.30000
• Density: 0.996g/cm³
• LogP: 2.95450
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1=CC=C(C=C1)CC

Technology Process of 4-Ethylphenyl butyrate

There total 1 articles about 4-Ethylphenyl butyrate 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:

→ butyric acid-(4-ethyl-phenyl ester) (94087-47-5)

Guidance literature:

/BRN= 3245051/;

Reference yield:

butyric acid-(4-ethyl-phenyl ester) (94087-47-5) → 1-(5-ethyl-2-hydroxy-phenyl)-butan-1-one

Guidance literature:

DOI:10.1021/ja01324a505