2-Phenoxypropionic acid

Base Information

• Chemical Name: 2-Phenoxypropionic acid
• CAS No.: 940-31-8
• Deprecated CAS: 1912-21-6
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: DERIVATION
• European Community (EC) Number: 213-370-5
• NSC Number: 404102,1866
• DSSTox Substance ID: DTXSID10870812
• Nikkaji Number: J60.130F
• Mol file: 940-31-8.mol

Synonyms:Propionicacid, 2-phenoxy- (7CI,8CI);Acide phenoxy-2-propionique;2-PPA;2-Phenoxypropanoic acid;DL-2-Phenoxypropionic acid;NSC 1866;NSC 404102;a-Methylphenoxyacetic acid;a-Phenoxypropionic acid;

Chemical Property of 2-Phenoxypropionic acid

Chemical Property:

• Appearance/Colour: white to pale yellow to beige powder
• Vapor Pressure: 0.00471mmHg at 25°C
• Melting Point: 112-115 °C(lit.)
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 265 °C at 760 mmHg
• PKA: 3.22±0.10(Predicted)
• Flash Point: 112.7 °C
• Density: 1.174 g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

2-Phenoxypropionic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 24/25-45-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=CC=C1
• Uses: 2-Phenoxypropionic Acid is used in organic chemistry reduction reactions. Used in the synthesis of PPAR (peroxisome proliferator-activated receptor (PPAR) ligands.

Technology Process of 2-Phenoxypropionic acid

There total 25 articles about 2-Phenoxypropionic 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: 80.3%

(R,S)-2-chloropropionic acid (598-78-7) + phenol (108-95-2,27073-41-2) → 2-phenoxypropionic acid (940-31-8)

Guidance literature:

With sodium hydroxide; In water; at 65 ℃; for 6h;

Reference yield: 73.3%

ethyl 2-phenoxypropionate (42412-84-0) → 2-phenoxypropionic acid (940-31-8)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 25 ℃; for 0.5h;

Reference yield: 70.0%

2-phenoxypropanoic acid sodium salt → 2-phenoxypropionic acid (940-31-8)

Guidance literature:

With phosphoric acid;

DOI:10.1021/ja00338a027

upstream raw materials:

Methyl 2-bromopropionate

potassium phenolate

ethyl 2-phenoxypropionate

2-Bromopropionic acid

Downstream raw materials:

ethyl 2-phenoxypropionate

(RS)-2-(4-nitrophenoxy)propionic acid

2-(2-nitrophenoxy)propanoic acid

(+/-)-2-(4-bromophenoxy)propanoic acid