2-Phenylhexanoic acid

Base Information

Chemical Name:2-Phenylhexanoic acid
CAS No.:24716-09-4
Molecular Formula:C12H16 O2
Molecular Weight:192.258
Hs Code.:
DSSTox Substance ID:DTXSID90947652
Nikkaji Number:J745.066D
Wikidata:Q82925461
Mol file:24716-09-4.mol

Synonyms:2-phenylhexanoic acid;Benzeneacetic acid, alpha-butyl-;alpha-Butylphenylacetic acid;24716-09-4;alpha-Butylbenzeneacetic acid;(+-)-2-Phenylhexanoic acid;BRN 3200050;HEXANOIC ACID, 2-PHENYL-;alpha-Phenylcaproic acid;phenylhexanoic acid;SCHEMBL455432;DTXSID90947652;AKOS005136970;Benzeneacetic acid, alpha-butyl- (9CI);LS-75361

Suppliers and Price of 2-Phenylhexanoic 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

Total 0 raw suppliers

Chemical Property of 2-Phenylhexanoic acid

Chemical Property:

Vapor Pressure:0.000376mmHg at 25°C
Refractive Index:1.5071 (estimate)
Boiling Point:304.7°C at 760 mmHg
Flash Point:201.8°C
PSA：37.30000
Density:1.046g/cm³
LogP:3.04500
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:192.115029749
Heavy Atom Count:14
Complexity:171

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Phenylhexanoic acid

There total 11 articles about 2-Phenylhexanoic 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: 99.0%

: 109-65-9
1-bromo-butane

: 103-82-2
phenylacetic acid

: 24716-09-4
2-phenylhexanoic acid

Guidance literature:: phenylacetic acid; With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 1.5h; Inert atmosphere;

1-bromo-butane; In tetrahydrofuran; for 0.25h; Inert atmosphere;
DOI:10.15227/orgsyn.094.0001

Reference yield: 60.0%

: 124-38-9,18923-20-1
carbon dioxide

: 1-phenyl-1-pentylhydrazone

: 24716-09-4
2-phenylhexanoic acid

Guidance literature:: With 1,1'-bis-(diphenylphosphino)ferrocene; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; caesium carbonate; cesium fluoride; In N,N-dimethyl-formamide; at 80 ℃; for 24h; under 760.051 Torr; chemoselective reaction;
DOI:10.1039/c8sc01299g

Reference yield: 52.0%

: 88733-46-4
ethyl α-bromo-α-phenylhexanoate

: 24716-09-4
2-phenylhexanoic acid

Guidance literature:: With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In benzene; for 1h; Ambient temperature;
DOI:10.1016/S0040-4039(00)88280-5