3-Octyl acetate

Base Information

Chemical Name:3-Octyl acetate
CAS No.:4864-61-3
Deprecated CAS:50373-56-3
Molecular Formula:C10H20O2
Molecular Weight:172.268
Hs Code.:
European Community (EC) Number:225-471-1
UNII:8M41FR2J6W
DSSTox Substance ID:DTXSID30863463
Nikkaji Number:J184.543H
Wikidata:Q27270741
Metabolomics Workbench ID:48868
Mol file:4864-61-3.mol

Synonyms:3-Octyl acetate;3-Octanol, acetate;octan-3-yl acetate;4864-61-3;3-Octanol acetate;Oct-3-yl ethanoate;Amyl ethyl carbinyl acetate;1-Ethyl hexyl acetate;3-Octanol, 3-acetate;FEMA No. 3583;3-Octyl acetate (natural);UNII-8M41FR2J6W;EINECS 225-471-1;(+/-)-3-Octyl acetate;8M41FR2J6W;3-OCTANYL ACETATE;3-OCTYLACETATE;3 - octyl acetate;Octan-3-ol acetate;ethyl acetate=n-hexane;3-ACETOXYOCTANE;(+)-3-octyl acetate;1-Ethylhexyl acetate #;n-Amyl ethyl carbonyl acetate;SCHEMBL112743;Acetic acid 1-ethylhexyl ester;3-OCTYL ACETATE [FCC];3-OCTYL ACETATE [FHFI];Acetic acid, 1-ethylhexyl ester;FEMA 3583;DTXSID30863463;(+/-)-3-ACETOXYOCTANE;CHEBI:179545;3-OCTYL ACETATE, (+/-)-;LS-3008;3-Octyl acetate, >=98%, FCC, FG;FT-0616286;3-Octyl acetate, natural (US), >=97%, FG;Q27270741

Suppliers and Price of 3-Octyl acetate

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
3-Octyl acetate ≥98%, FCC, FG
4 kg
$ 980.00

Sigma-Aldrich
3-Octyl acetate ≥98%, FCC, FG
4kg-k
$ 980.00

Sigma-Aldrich
3-Octyl acetate natural (US), ≥97%, FG
1 kg
$ 750.00

Sigma-Aldrich
3-Octyl acetate ≥98%, FCC, FG
1 kg
$ 287.00

Sigma-Aldrich
3-Octyl acetate natural (US), ≥97%, FG
1kg-k
$ 287.00

Sigma-Aldrich
3-Octyl acetate ≥98%, FCC, FG
1kg-k
$ 287.00

Sigma-Aldrich
3-Octyl acetate natural (US), ≥97%, FG
100 g
$ 135.00

Sigma-Aldrich
3-Octyl acetate ≥98%, FCC, FG
100 g
$ 63.00

Sigma-Aldrich
3-Octyl acetate natural (US), ≥97%, FG
100g-k
$ 63.00

Sigma-Aldrich
3-Octyl acetate ≥98%, FCC, FG
100g-k
$ 63.00

Total 11 raw suppliers

Chemical Property of 3-Octyl acetate

Chemical Property:

Melting Point:-65.75°C (estimate)
Refractive Index:n20/D 1.415(lit.)
Boiling Point:191 °C at 760 mmHg
Flash Point:71.4 °C
PSA：26.30000
Density:0.872 g/cm³
LogP:2.90840
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:172.146329876
Heavy Atom Count:12
Complexity:121

Purity/Quality:

99% ^*data from raw suppliers

3-Octyl acetate ≥98%, FCC, FG ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(CC)OC(=O)C
Description 3-Octyl acetate has a characteristic, complex aroma with a rose and jasmine note and an apple-lemon undertone with a sweet, peach-like flavor.

Technology Process of 3-Octyl acetate

There total 32 articles about 3-Octyl acetate 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: 83.0%

: 66-25-1
hexanal

: 4864-61-3,50373-56-3
1-ethylhexyl acetate

Guidance literature:: With ammonium chloride; acetic anhydride; In hexane; ethyl acetate; toluene;

Reference yield: 53.0%

: 111-66-0,25068-25-1
oct-1-ene

: 64-19-7,77671-22-8
acetic acid

: 74112-36-0,2051-50-5
2-Octyl acetate

: 4864-61-3,50373-56-3
1-ethylhexyl acetate

Guidance literature:: With tetra[N,N,N′,N′′,N′′-pentamethyl-N,N′′-bis(3-sulfopropyl)diethylenetriaminium] tris[silicotungstic acid] salt; In neat (no solvent); at 110 ℃; for 4h; Reagent/catalyst; Autoclave;
DOI:10.1080/00397911.2019.1580743