3-Oxo-3-phenylpropanoic acid

Base Information

Chemical Name:3-Oxo-3-phenylpropanoic acid
CAS No.:614-20-0
Molecular Formula:C9H8 O3
Molecular Weight:164.161
Hs Code.:2918300090
NSC Number:97769
UNII:C0Z4E3K13K
DSSTox Substance ID:DTXSID70210316
Nikkaji Number:J79.740E
Wikidata:Q27103879
Metabolomics Workbench ID:51836
ChEMBL ID:CHEMBL3546292
Mol file:614-20-0.mol

Synonyms:3-keto-3-phenylpropionic acid

Suppliers and Price of 3-Oxo-3-phenylpropanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
3-Oxo-3-phenylpropanoicacid 95+%
250mg
$ 270.00

Crysdot
3-Oxo-3-phenylpropanoicacid 95+%
1g
$ 675.00

Atlantic Research Chemicals
3-?Oxo-?3-?phenylpropanoicacid 95%
1gm:
$ 279.23

American Custom Chemicals Corporation
PHENYLOXYL ACETIC ACID 95.00%
5G
$ 909.56

Abosyn
Phenyloxylaceticacid 95%-98%
1g
$ 2500.00

Total 47 raw suppliers

Chemical Property of 3-Oxo-3-phenylpropanoic acid

Chemical Property:

Vapor Pressure:1.81E-05mmHg at 25°C
Melting Point:98-100 °C(lit.)
Boiling Point:349.1 °C at 760 mmHg
PKA:2.76±0.32(Predicted)
Flash Point:179.1 °C
PSA：54.37000
Density:1.242 g/cm³
LogP:1.34400
Storage Temp.:2-8°C
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:164.047344113
Heavy Atom Count:12
Complexity:180

Purity/Quality:

99%, ^*data from raw suppliers

3-Oxo-3-phenylpropanoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)CC(=O)O

Technology Process of 3-Oxo-3-phenylpropanoic acid

There total 75 articles about 3-Oxo-3-phenylpropanoic 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: 90.0%

: 18457-04-0
bis(trimethylsilyl) malonate

: 98-88-4
benzoyl chloride

: 614-20-0
3-oxo-3-phenylpropionic acid

Guidance literature:: bis(trimethylsilyl) malonate; With n-butyllithium; In diethyl ether; hexane; at -78 - 0 ℃;

benzoyl chloride; at 0 ℃; for 0.166667h;
DOI:10.1081/SCC-100000576