Phenylacetic Acid

Base Information

Chemical Name:Phenylacetic Acid
CAS No.:51146-16-8
Molecular Formula:C8H8 O2
Molecular Weight:138.139
Hs Code.:
European Community (EC) Number:203-148-6
ICSC Number:1260
NSC Number:139637,125718
UNII:ER5I1W795A
DSSTox Substance ID:DTXSID2021656
Nikkaji Number:J10.117F
Wikipedia:Phenylacetic_acid
Wikidata:Q410842
NCI Thesaurus Code:C77487
RXCUI:33332
Metabolomics Workbench ID:37136
ChEMBL ID:CHEMBL1044
Mol file:51146-16-8.mol

Synonyms:phenylacetate;phenylacetic acid;phenylacetic acid, ammonium salt;phenylacetic acid, calcium salt;phenylacetic acid, cesium salt;phenylacetic acid, lithium salt;phenylacetic acid, mercury salt;phenylacetic acid, potassium salt;phenylacetic acid, rubidium salt;phenylacetic acid, sodium salt;phenylacetic acid, sodium salt , carboxy-(11)C-labeled cpd;sodium phenylacetate

Suppliers and Price of Phenylacetic 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

American Custom Chemicals Corporation
PHENYLACETIC ACID [1-14C] 95.00%
5MG
$ 505.34

Total 5 raw suppliers

Chemical Property of Phenylacetic Acid

Chemical Property:

Melting Point:76.5-78.0 °C
Boiling Point:299.1°Cat760mmHg
Flash Point:148.9°C
PSA：37.30000
Density:1.257g/cm³
LogP:1.31370
Storage Temp.:2-8°C
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:136.052429494
Heavy Atom Count:10
Complexity:114

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

PHENYLACETIC ACID [1-14C] 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,R
Hazard Codes:Xi,R
Statements: 36/37/38
Safety Statements: 26

MSDS Files:

Useful:

Chemical Classes:Other Classes -> Organic Acids
Canonical SMILES:C1=CC=C(C=C1)CC(=O)O
Recent ClinicalTrials:Phenylacetate in Treating Children With Recurrent or Progressive Brain Tumors
Inhalation Risk:A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
Effects of Short Term Exposure:The substance is irritating to the eyes. The substance is mildly irritating to the skin.

Technology Process of Phenylacetic Acid

There total 4 articles about Phenylacetic 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: 61.0%

: 4701-32-0
benzyl [cyano-¹⁴C] cyanide

: 51146-16-8
2-phenyl[1-¹⁴C]acetic acid

Guidance literature:: With sulfuric acid; acetic acid; In water; for 1h; Reflux;
DOI:10.1134/S1066362218010071

Reference yield:

: 100-44-7
benzyl chloride

: 51146-16-8
2-phenyl[1-¹⁴C]acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: sodium iodide / acetone / 20 h / Reflux; Sealed tube

2: acetic acid; water; sulfuric acid / 0.75 h / Reflux

With sulfuric acid; water; acetic acid; sodium iodide; In acetone;
DOI:10.1002/jlcr.3382

Reference yield:

: 100-39-0
benzyl bromide

: 51146-16-8
2-phenyl[1-¹⁴C]acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: tetrabutylammomium bromide / water; dichloromethane / 48 h

2: sodium hydroxide / water / 12 h / 105 °C

With tetrabutylammomium bromide; sodium hydroxide; In dichloromethane; water;
DOI:10.1002/jlcr.3463