Octyl isovalerate

Base Information

Chemical Name:Octyl isovalerate
CAS No.:7786-58-5
Molecular Formula:C13H26 O2
Molecular Weight:214.348
Hs Code.:
European Community (EC) Number:232-100-7
NSC Number:21891
UNII:TR83HG1KKX
DSSTox Substance ID:DTXSID9064847
Nikkaji Number:J183.050C
Wikidata:Q27290204
Metabolomics Workbench ID:4157
Mol file:7786-58-5.mol

Synonyms:Octyl isovalerate;Octyl 3-methylbutanoate;Octyl isopentanoate;7786-58-5;Isovaleric acid, octyl ester;Octyl isovalerianate;Octyl 3-methylbutyrate;Butanoic acid, 3-methyl-, octyl ester;ENT 30598;octyl 3-methyl-butanoate;FEMA No. 2814;UNII-TR83HG1KKX;TR83HG1KKX;Octyl isovalerate (natural);EINECS 232-100-7;NSC 21891;NSC-21891;WE(8:0/4:0(3Me));AI3-30598;n-Octyl-3-methyl butyrate;n-Octylisovalerianat;Isovaleric acid octyl ester;SCHEMBL872735;DTXSID9064847;FEMA 2814;CHEBI:180099;Octyl isovalerate, >=98%, FG;N-OCTYL ISOVALERATE [FHFI];NSC21891;3- methyl butanoic acid octyl ester;Butanoic acid,3-methyl-,octyl ester;Isovaleric acid, octyl ester (8CI);LMFA07010512;Q27290204

Suppliers and Price of Octyl isovalerate

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 isovalerate ≥98%, FG
9kg
$ 800.00

Sigma-Aldrich
Octyl isovalerate ≥98%, FG
4kg
$ 375.00

Sigma-Aldrich
Octyl isovalerate ≥98%, FG
1kg
$ 138.00

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

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

American Custom Chemicals Corporation
OCTYL ISOVALERATE 95.00%
4KG
$ 8697.85

American Custom Chemicals Corporation
OCTYL ISOVALERATE 95.00%
1KG
$ 6776.85

Total 15 raw suppliers

Chemical Property of Octyl isovalerate

Chemical Property:

Vapor Pressure:0.0236mmHg at 25°C
Melting Point:-42.3°C (estimate)
Refractive Index:n20/D 1.425(lit.)
Boiling Point:248.9°C at 760 mmHg
Flash Point:104.7°C
PSA：26.30000
Density:0.867g/cm³
LogP:3.93620
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:214.193280068
Heavy Atom Count:15
Complexity:153

Purity/Quality:

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

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCOC(=O)CC(C)C
Description Octyl isovalerate has a strong odor reminiscent of fatty aldehyde with an apple-pineapple undertone. May be prepared by esterification of n-octanol with isovaleric acid.

Technology Process of Octyl isovalerate

There total 1 articles about Octyl isovalerate 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: 94.8%