Octyl octanoate

Base Information

Chemical Name:Octyl octanoate
CAS No.:2306-88-9
Molecular Formula:C16H32O2
Molecular Weight:256.429
Hs Code.:
European Community (EC) Number:218-980-5
NSC Number:23957
UNII:MM00XO86JQ
DSSTox Substance ID:DTXSID3062318
Nikkaji Number:J115.088J
Wikidata:Q27284107
Metabolomics Workbench ID:4094
Mol file:2306-88-9.mol

Synonyms:octanoic acid, octyl ester;octyl octanoate

Suppliers and Price of Octyl 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

Sigma-Aldrich
Octyl octanoate ≥98%, FG
1 kg
$ 85.00

Sigma-Aldrich
Octyl octanoate ≥98%, FG
1kg-k
$ 82.40

Sigma-Aldrich
Octyl octanoate ≥98%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
Octyl octanoate ≥98%, FG
sample-k
$ 50.00

Sigma-Aldrich
Octyl octanoate ≥98%, FG
9 kg
$ 512.00

Sigma-Aldrich
Octyl octanoate ≥98%, FG
9kg-k
$ 512.00

American Custom Chemicals Corporation
OCTYL OCTANOATE 95.00%
4KG
$ 692.00

American Custom Chemicals Corporation
OCTYL OCTANOATE 95.00%
1KG
$ 473.00

Total 23 raw suppliers

Chemical Property of Octyl octanoate

Chemical Property:

Appearance/Colour:colorless clear liquid
Vapor Pressure:0.000817mmHg at 25°C
Melting Point:-18 °C(lit.)
Refractive Index:1.439
Boiling Point:305.5 °C at 760 mmHg
Flash Point:139.8 °C
PSA：26.30000
Density:0.865 g/cm³
LogP:5.25060
XLogP3:6.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:14
Exact Mass:256.240230259
Heavy Atom Count:18
Complexity:178

Purity/Quality:

99.9% ^*data from raw suppliers

Octyl octanoate ≥98%, FG ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCOC(=O)CCCCCCC
Description Octyl octanoate has a faint, fatty odor reminiscent of green tea with an oily, fruity, sweet, mildly green taste. May be prepared by esterification of octanoic acid with octyl alcohol in the presence of HCl catalyst; or by passing vapors of octanoic acid and hydrogen over a copper chromium oxide catalyst at high temperature (320°C).

Technology Process of Octyl octanoate

There total 52 articles about Octyl 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: 74.0%

: 111-87-5
octanol

: 591-87-7
Allyl acetate

: 3295-97-4
allyl octyl ether

: 112-14-1
n-octyl acetate

: 2306-88-9
octyl octylate

Guidance literature:: With [Ir(1,5-cyclooctadiene)2]PF₆; sodium carbonate; In toluene; at 100 ℃; for 5h;
DOI:10.1021/jo049828k

Reference yield: 31.0%

: 111-87-5
octanol

: 2617-79-0
N-(4-chlorophenyl)formamide

: 2306-88-9
octyl octylate

: 106-47-8
4-chloro-aniline

: p-chloro-N-octoxycarbonylaniline

Guidance literature:: With [RuH(tBu-PNP(-))(CO)]; In 1,3,5-trimethyl-benzene; at 135 ℃; for 20h; Concentration; Solvent; Temperature; chemoselective reaction; Inert atmosphere;
DOI:10.1021/jacs.9b08942