Phenyl octanoate

Base Information

Chemical Name:Phenyl octanoate
CAS No.:5457-78-3
Molecular Formula:C14H20O2
Molecular Weight:220.312
Hs Code.:2915900090
NSC Number:23962
DSSTox Substance ID:DTXSID10282052
Nikkaji Number:J642.281K
Wikidata:Q82016224
Mol file:5457-78-3.mol

Synonyms:Phenyl octanoate;5457-78-3;Octanoic acid, phenyl ester;phenyl caprylate;Phenyl octanoate #;SCHEMBL726996;DTXSID10282052;NSC23962;NSC-23962

Suppliers and Price of Phenyl octanoate

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 6 raw suppliers

Chemical Property of Phenyl octanoate

Chemical Property:

Vapor Pressure:0.000984mmHg at 25°C
Boiling Point:302.5°Cat760mmHg
Flash Point:108.6°C
PSA：26.30000
Density:0.974g/cm³
LogP:3.95250
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:220.146329876
Heavy Atom Count:16
Complexity:183

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC(=O)OC1=CC=CC=C1

Technology Process of Phenyl octanoate

There total 9 articles about Phenyl octanoate 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: 98.0%

: 111-64-8
n-octanoic acid chloride

: 108-95-2,27073-41-2
phenol

: 5457-78-3
phenyl octanoate

Guidance literature:: With pyridine; In diethyl ether; for 2h; cooling;
DOI:10.1016/j.tetasy.2004.07.044

Reference yield: 95.0%

: 124-07-2
Octanoic acid

: 108-95-2,27073-41-2
phenol

: 5457-78-3
phenyl octanoate

Guidance literature:: With potassium carbonate; In ethyl acetate; for 3h; Heating;
DOI:10.1016/j.tet.2007.10.011

Reference yield: 64.0%

: 111-87-5
octanol

: 108-95-2,27073-41-2
phenol

: 5457-78-3
phenyl octanoate

Guidance literature:: With [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine nickel(II) bromide; In ethyl acetate; at 20 ℃; for 48h; Inert atmosphere; Glovebox; Irradiation;
DOI:10.1021/acs.orglett.1c03017