Hexyl octanoate

Base Information

Chemical Name:Hexyl octanoate
CAS No.:1117-55-1
Molecular Formula:C14H28 O2
Molecular Weight:228.375
Hs Code.:2915900090
European Community (EC) Number:214-247-9
UNII:GU3S7YK802
DSSTox Substance ID:DTXSID8047636
Nikkaji Number:J65.649F
Wikidata:Q27159666
Metabolomics Workbench ID:4093
ChEMBL ID:CHEMBL3182596
Mol file:1117-55-1.mol

Synonyms:Hexyl octanoate;1117-55-1;Hexyl caprylate;OCTANOIC ACID, HEXYL ESTER;n-Hexyl caprylate;Hexyl octylate;FEMA No. 2575;Hexyl octanoate (natural);Fema2575;EINECS 214-247-9;BRN 1769635;UNII-GU3S7YK802;AI3-33727;GU3S7YK802;DTXSID8047636;CHEBI:87490;OCTANOIC ACID HEXYL ESTER;WE(6:0/8:0);3-02-00-00794 (Beilstein Handbook Reference);Caproyl caprylate;starbld0009580;OCTANOATE, HEXYL;Hexyl octanoate, >=97%;N-HEXYL-N-OCTANOATE;SCHEMBL310160;HEXYL OCTANOATE [FHFI];CHEMBL3182596;DTXCID6027636;FEMA 2575;BAA11755;Tox21_302578;LMFA07010448;AKOS015839915;LS-2816;NCGC00256630-01;AS-56679;CAS-1117-55-1;CS-0451191;FT-0627058;D95774;Q27159666

Suppliers and Price of Hexyl 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
Hexyl octanoate ≥97%, FG
4 kg
$ 181.00

Sigma-Aldrich
Hexyl octanoate ≥97%
4kg-k
$ 181.00

Sigma-Aldrich
Hexyl octanoate natural (US), ≥97%, FG
1 kg
$ 180.00

Sigma-Aldrich
Hexyl octanoate natural (US), ≥97%, FG
100g-k
$ 120.00

Sigma-Aldrich
Hexyl octanoate natural (US), ≥97%, FG
100 g
$ 70.00

Sigma-Aldrich
Hexyl octanoate ≥97%, FG
1 kg
$ 65.00

Sigma-Aldrich
Hexyl octanoate ≥97%
1kg-k
$ 63.00

Sigma-Aldrich
Hexyl octanoate natural(US),≥97%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
Hexyl octanoate ≥97%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
Hexyl octanoate natural (US), ≥97%, FG
SAMPLE-K
$ 50.00

Total 21 raw suppliers

Chemical Property of Hexyl octanoate

Chemical Property:

Vapor Pressure:0.00532mmHg at 25°C
Melting Point:-30.6°C
Refractive Index:n20/D 1.431(lit.)
Boiling Point:274.7°Cat760mmHg
Flash Point:120°C
PSA：26.30000
Density:0.867g/cm³
LogP:4.47040
XLogP3:5.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:228.208930132
Heavy Atom Count:16
Complexity:155

Purity/Quality:

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

Hexyl octanoate ≥97%, FG ^*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)OCCCCCC

Technology Process of Hexyl octanoate

There total 7 articles about Hexyl 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: 87.0%

: 124-07-2
Octanoic acid

: 111-27-3
hexan-1-ol

: 1117-55-1
n-hexyl octanoate

Guidance literature:: With potassium carbonate; In ethyl acetate; isopropyl alcohol; at 20 ℃; for 1h;
DOI:10.1016/j.tet.2007.10.011

Reference yield: 18.0%

: 124-13-0
Octanal

: 111-27-3
hexan-1-ol

: 1117-55-1
n-hexyl octanoate

Guidance literature:: With 5 wt% Pd nanoparticles loaded on phosphate anion exchanged [Mg₆Al₂(OH)₁₆]CO₃*xH₂O; air; at 60 ℃; for 16h; under 760.051 Torr; Irradiation;
DOI:10.1039/c6cc05186c

Reference yield:

: 106-32-1
octanoic acid ethyl ester

: 111-27-3
hexan-1-ol

: 1117-55-1
n-hexyl octanoate

Guidance literature:: With Candida antarctica lipase B; In cyclohexane; at 20 ℃; Reagent/catalyst; Kinetics; Enzymatic reaction;
DOI:10.1016/j.molcatb.2010.04.005