Pentyl hexanoate

Base Information

Chemical Name:Pentyl hexanoate
CAS No.:540-07-8
Molecular Formula:C11H22 O2
Molecular Weight:186.294
Hs Code.:2915900090
European Community (EC) Number:208-732-4
NSC Number:53794,46119
UNII:5M61M1AL1H
DSSTox Substance ID:DTXSID0047581
Nikkaji Number:J419G
Wikipedia:Pentyl_hexanoate
Wikidata:Q7165332
Metabolomics Workbench ID:4082
ChEMBL ID:CHEMBL3187784
Mol file:540-07-8.mol

Synonyms:amyl hexanoate

Suppliers and Price of Pentyl hexanoate

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
Amyl Hexanoate >98.0%(GC)
500mL
$ 251.00

TCI Chemical
Amyl Hexanoate >98.0%(GC)
25mL
$ 29.00

Sigma-Aldrich
Amyl hexanoate ≥98%, FG
100g
$ 64.00

Sigma-Aldrich
Amyl hexanoate analytical standard
1ml
$ 53.70

Sigma-Aldrich
Amyl hexanoate ≥98%,FG
1 SAMPLE
$ 50.00

Sigma-Aldrich
Amyl hexanoate ≥98%, FG
sample
$ 50.00

Sigma-Aldrich
Amyl hexanoate ≥98%, FG
1kg
$ 125.00

Sigma-Aldrich
Amyl hexanoate ≥98%, FG
20kg
$ 2130.00

Sigma-Aldrich
Amyl hexanoate ≥98%, FG
9kg
$ 995.00

American Custom Chemicals Corporation
AMYL HEXANOATE 95.00%
1KG
$ 6790.19

Total 42 raw suppliers

Chemical Property of Pentyl hexanoate

Chemical Property:

Vapor Pressure:0.09mmHg at 25°C
Melting Point:-47°C
Refractive Index:n20/D 1.42(lit.)
Boiling Point:224.7°Cat760mmHg
Flash Point:87.9°C
PSA：26.30000
Density:0.872g/cm³
LogP:3.30010
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:186.161979940
Heavy Atom Count:13
Complexity:121

Purity/Quality:

99% ^*data from raw suppliers

Amyl Hexanoate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(=O)OCCCCC

Technology Process of Pentyl hexanoate

There total 11 articles about Pentyl hexanoate 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: 59.0%

: 927-49-1
dipentyl ketone

: 540-07-8
pentyl hexanoate

Guidance literature:: With dihydrogen peroxide; lithium tetrakis(pentafluorophenyl)borate; In water; 1,2-dichloro-ethane; at 50 ℃; for 55h; Reagent/catalyst;

Reference yield: 59.0%

: 927-49-1
dipentyl ketone

: 540-07-8
pentyl hexanoate

: 142-62-1
hexanoic acid

Guidance literature:: With lithium(etherate)2.5 tetrakis(pentafluorophenyl)borate; dihydrogen peroxide; In 1,2-dichloro-ethane; at 50 ℃; for 55h;
DOI:10.1002/anie.201204286

Reference yield: 20.1%

: 111-27-3
hexan-1-ol

: 112-58-3
dihexyl ether

: 540-07-8
pentyl hexanoate

: 6378-65-0
n-hexyl caproate

: 66-25-1
hexanal

Guidance literature:: With aluminum oxide; zinc aluminate; copper(II) oxide; at 533 ℃; for 1h; Further Variations:; Temperatures; Product distribution;