Allyl octanoate

Base Information Edit

Chemical Name:Allyl octanoate
CAS No.:4230-97-1
Molecular Formula:C11H20 O2
Molecular Weight:184.279
Hs Code.:2915900090
European Community (EC) Number:224-184-9
NSC Number:32645
UNII:17ZH17CKME
DSSTox Substance ID:DTXSID9063370
Nikkaji Number:J34.612H
Wikidata:Q27251951
Metabolomics Workbench ID:49103
ChEMBL ID:CHEMBL2229586
Mol file:4230-97-1.mol

Synonyms:Allyl octanoate;Allyl caprylate;4230-97-1;2-Propenyl octanoate;prop-2-enyl octanoate;Octanoic acid, 2-propenyl ester;2-Propenyl octylate;OCTANOIC ACID, ALLYL ESTER;Allyl octylate;Octanoic acid, 2-propen-1-yl ester;prop-2-en-1-yl octanoate;FEMA No. 2037;AllOCOHep;Allyl n-caprylate;Allyl n-octanoate;EINECS 224-184-9;NSC 32645;UNII-17ZH17CKME;BRN 1768774;17ZH17CKME;AI3-36007;NSC-32645;3-02-00-00795 (Beilstein Handbook Reference);Caprylic acid allyl ester;Allyl octanoate, >=99%;SCHEMBL126629;WLN: 7VO2U1;ALLYL OCTANOATE [FHFI];CHEMBL2229586;DTXSID9063370;FEMA 2037;Allyl octanoate (Allyl caprylate);CHEBI:172058;NSC32645;LMFA07010748;MFCD00038343;LS-2551;FT-0734995;Q27251951

Suppliers and Price of Allyl octanoate

Supply Marketing:Edit

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
Allyl octanoate ≥99%
9kg-k
$ 516.00

Sigma-Aldrich
Allyl octanoate ≥99%
1kg-k
$ 101.00

Sigma-Aldrich
Allyl octanoate ≥99%
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
Allyl octanoate ≥99%
sample-k
$ 50.00

American Custom Chemicals Corporation
ALLYL CAPRYLATE 95.00%
1KG
$ 3265.94

American Custom Chemicals Corporation
ALLYL CAPRYLATE 95.00%
10G
$ 825.38

Total 27 raw suppliers

Chemical Property of Allyl octanoate Edit

Chemical Property:

Vapor Pressure:0.0539mmHg at 25°C
Melting Point:-58.7°C (estimate)
Refractive Index:n20/D 1.432(lit.)
Boiling Point:234.1°Cat760mmHg
Flash Point:95°C
PSA：26.30000
Density:0.883g/cm³
LogP:3.07610
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:184.146329876
Heavy Atom Count:13
Complexity:141

Purity/Quality:

98%,99%, ^*data from raw suppliers

Allyl octanoate ≥99% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCCCCC(=O)OCC=C
Uses Allyl Caprylate is a synthetic flavoring agent that is a colorless to light yellow liquid and has a fruity odor. It is alkali and mineral acid unstable and should be stored in glass, tin, or resin-lined containers. It is used to give flavors a fruity note and has application in dessert gels, puddings, beverages, and candy at 3–25 ppm.

Technology Process of Allyl octanoate

There total 8 articles about Allyl 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%

: 5831-77-6
2-allyloxypyridine

: 124-07-2
Octanoic acid

: 4230-97-1
octanoic acid allyl ester

Guidance literature:: 2-allyloxypyridine; Octanoic acid; With methyl trifluoromethanesulfonate; In toluene; at 0 - 23 ℃; for 1h; Inert atmosphere;

With potassium carbonate; In toluene; for 2h; Reflux; Inert atmosphere;
DOI:10.1016/j.tetlet.2015.10.085