2-(4-Ethylphenoxy)propanoic acid

Base Information

• Chemical Name: 2-(4-Ethylphenoxy)propanoic acid
• CAS No.: 99761-31-6
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90397052
• Nikkaji Number: J486.667C
• Mol file: 99761-31-6.mol

Synonyms:2-(4-ethylphenoxy)propanoic acid;99761-31-6;2-(4-Ethylphenoxy)propionic acid;SCHEMBL4650970;2-(4-ethylphenoxy)propanoicacid;DTXSID90397052;BBL014326;MFCD03422221;STK397799;AKOS000104387;AKOS017258947;VS-04274;CS-0296660;EN300-86523

Chemical Property of 2-(4-Ethylphenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Boiling Point: 316.3oC at 760 mmHg
• Flash Point: 120.6oC
• PSA: 46.53000
• Density: 1.114g/cm3
• LogP: 2.10090
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Ethylphenoxy)propanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)OC(C)C(=O)O

Technology Process of 2-(4-Ethylphenoxy)propanoic acid

There total 5 articles about 2-(4-Ethylphenoxy)propanoic acid 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:

4-Ethylphenol (123-07-9) + (R,S)-2-chloropropionic acid (598-78-7) → (+/-)-2-(4-ethylphenoxy)propanoic acid (99761-31-6)

Guidance literature:

With sodium hydroxide; In water; for 20h; Heating;

DOI:10.1021/jo0706224

Reference yield:

4-Ethylphenol (123-07-9) + 2-Bromopropionic acid (598-72-1,10327-08-9) → (+/-)-2-(4-ethylphenoxy)propanoic acid (99761-31-6)

Guidance literature:

With sodium hydroxide;

Reference yield:

p-Ethyl potassium phenolate (75121-14-1) → (+/-)-2-(4-ethylphenoxy)propanoic acid (99761-31-6)

Guidance literature:

Multi-step reaction with 2 steps

2: alkali / Ambient temperature

With alkali;

upstream raw materials:

4-Ethylphenol

2-Bromopropionic acid

(R/S)-Ethyl 2-(4-ethylphenoxy)propionate

(R,S)-2-chloropropionic acid

Downstream raw materials:

(R)-Butyl 2-(4-ethylphenoxy)propionate

(S)-Butyl 2-(4-ethylphenoxy)propionate

2-(4-ethyl-phenoxy)-propan-1-ol

(R)-2-(4-Ethylphenoxy)propionic acid