Phenethyl octanoate

Base Information

Chemical Name:Phenethyl octanoate
CAS No.:5457-70-5
Molecular Formula:C16H24O2
Molecular Weight:248.365
Hs Code.:2915900090
European Community (EC) Number:226-718-6
NSC Number:23950
UNII:89J4RI53EZ
DSSTox Substance ID:DTXSID4063909
Nikkaji Number:J155.072A
Wikidata:Q27270047
Metabolomics Workbench ID:47903
Mol file:5457-70-5.mol

Synonyms:Phenethyl octanoate;2-Phenylethyl octanoate;5457-70-5;2-Phenethyl octanoate;Octanoic acid, phenethyl ester;Phenylethyl octanoate;Octanoic acid, 2-phenylethyl ester;Phenethyl caprylate;Phenylethyl caprylate;2-Phenylethyl caprylate;Octanoic acid,2-phenylethyl ester;FEMA No. 3222;Phenylethyl n-octanoate;Benzylcarbinyl octanoate;Fema3222;2-Phenylethyl n-Octanoate;UNII-89J4RI53EZ;89J4RI53EZ;EINECS 226-718-6;NSC 23950;NSC-23950;AI3-31010;starbld0009585;benzyl carbinyl octanoate;2-Phenylethyl-n-octanoate;2-Phenyl ethyl-N-octanoate;Phenethyl octanoate, >=99%;SCHEMBL873938;Octanoic acid phenylethyl ester;DTXSID4063909;Octanoic acid phenyl ethyl ester;FEMA 3222;CHEBI:171699;Octanoic acid 2-phenylethyl ester;PHENETHYL OCTANOATE [FHFI];NSC23950;.BETA.-PHENYLETHYL OCTANOATE;MFCD00209536;3-Bromo-5-chloropyridine-2-carboxylicacid;P2741;F87484;Q27270047

Suppliers and Price of Phenethyl 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

TCI Chemical
2-Phenylethyl n-Octanoate
100G
$ 107.00

TCI Chemical
2-Phenylethyl n-Octanoate
25G
$ 39.00

Sigma-Aldrich
Phenethyl octanoate ≥99%
10kg
$ 1720.00

Sigma-Aldrich
Phenethyl octanoate ≥99%
1kg
$ 284.00

Sigma-Aldrich
Phenethyl octanoate ≥99%
1 SAMPLE
$ 50.00

Sigma-Aldrich
Phenethyl octanoate ≥99%
sample
$ 50.00

Sigma-Aldrich
Phenethyl octanoate ≥99%
100g
$ 102.00

AK Scientific
Phenethyl octanoate
25g
$ 98.00

Total 40 raw suppliers

Chemical Property of Phenethyl octanoate

Chemical Property:

Appearance/Colour:Colourless oily liquid; mild fruity wine-like odour
Vapor Pressure:0.000107mmHg at 25°C
Refractive Index:1.49
Boiling Point:337.2 °C at 760 mmHg
Flash Point:114.6 °C
PSA：26.30000
Density:0.963g/cm³
LogP:4.13280
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:248.177630004
Heavy Atom Count:18
Complexity:207

Purity/Quality:

97% ^*data from raw suppliers

2-Phenylethyl n-Octanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCCCCC(=O)OCCC1=CC=CC=C1

Technology Process of Phenethyl octanoate

There total 5 articles about Phenethyl 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: 82.0%