Butyl octanoate

Base Information

Chemical Name:Butyl octanoate
CAS No.:589-75-3
Molecular Formula:C12H24 O2
Molecular Weight:200.321
Hs Code.:
European Community (EC) Number:209-659-0
NSC Number:23740
UNII:4I64Y9N2WO
DSSTox Substance ID:DTXSID0060432
Nikkaji Number:J94.996E
Wikidata:Q27159575
Mol file:589-75-3.mol

Synonyms:butyl caproate;butyl caprylate

Suppliers and Price of Butyl 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

TCI Chemical
Butyl n-Octanoate >99.0%(GC)
25mL
$ 43.00

Crysdot
Butyloctanoate 97%
100g
$ 62.00

Crysdot
Butyloctanoate 97%
500g
$ 188.00

American Custom Chemicals Corporation
BUTYL CAPRYLATE 95.00%
5MG
$ 496.53

AK Scientific
Butylcaprylate
25ml
$ 147.00

Total 30 raw suppliers

Chemical Property of Butyl octanoate

Chemical Property:

Vapor Pressure:0.0349mmHg at 25°C
Melting Point:-42.9°C
Refractive Index:1.4230-1.4260
Boiling Point:241.9°Cat760mmHg
Flash Point:99°C
PSA：26.30000
Density:0.87g/cm³
LogP:3.69020
Storage Temp.:−20°C
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:200.177630004
Heavy Atom Count:14
Complexity:132

Purity/Quality:

98%, ^*data from raw suppliers

Butyl n-Octanoate >99.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC(=O)OCCCC

Technology Process of Butyl octanoate

There total 17 articles about Butyl 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%

: 124-07-2
Octanoic acid

: 71-36-3
butan-1-ol

: 589-75-3
butyl octanoate

Guidance literature:: With nano sulfated-TiO₂; In neat (no solvent); at 80 ℃; for 1.5h; under 760.051 Torr;
DOI:10.1016/j.crci.2012.10.016

Reference yield: 87.0%

: 141-32-2,9003-49-0
acrylic acid n-butyl ester

: 41029-43-0
pentyl triflate

: 589-75-3
butyl octanoate

Guidance literature:: With Karstedt’s catalyst; water; 1,2-bis-(diphenylphosphino)ethane; zinc; In acetonitrile; at 80 ℃; for 10h; Sealed tube; Inert atmosphere;
DOI:10.1039/c7cc06881f

Reference yield: 84.0%

: 141-32-2,9003-49-0
acrylic acid n-butyl ester

: 4450-76-4
1-pentyl tosylate

: 589-75-3
butyl octanoate

Guidance literature:: With diiodobis(triphenylphosphine)cobalt(II); water; triphenylphosphine; zinc; In acetonitrile; at 80 ℃; for 24h; Sealed tube; Inert atmosphere;
DOI:10.1039/c7cc06881f