Methyl octanoate

Base Information Edit

Chemical Name:Methyl octanoate
CAS No.:111-11-5
Molecular Formula:C9H18O2
Molecular Weight:158.241
Hs Code.:H3(CH2)6COOCH3 & CH3(CH2)8COOCH3 MOL WT.
European Community (EC) Number:203-835-0
NSC Number:3710
UN Number:1993
UNII:7MO740X6QL
DSSTox Substance ID:DTXSID2026864
Nikkaji Number:J1.983F
Wikidata:Q3348789
Metabolomics Workbench ID:4091
ChEMBL ID:CHEMBL3183908
Mol file:111-11-5.mol

Synonyms:methyl octanoate

Suppliers and Price of Methyl octanoate

Supply Marketing:Edit

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

TRC
Methyl octanoate
250g
$ 820.00

TCI Chemical
Methyl n-Octanoate [Standard Material for GC] >99.5%(GC)
5mL
$ 79.00

TCI Chemical
Methyl n-Octanoate >99.0%(GC)
25mL
$ 18.00

TCI Chemical
Methyl n-Octanoate >99.0%(GC)
500mL
$ 49.00

Sigma-Aldrich
Methyl caprylate United States Pharmacopeia (USP) Reference Standard
300mg
$ 325.00

Sigma-Aldrich
Methyl octanoate 99%, FG
9 kg
$ 555.00

Sigma-Aldrich
Methyl octanoate 99%, FG
9kg-k
$ 538.00

Sigma-Aldrich
Methyl octanoate 99%, FG
1 kg
$ 80.00

Sigma-Aldrich
Methyl octanoate 99%, FG
1kg-k
$ 80.00

Sigma-Aldrich
Methyl octanoate 99%
100g
$ 120.00

Total 108 raw suppliers

Chemical Property of Methyl octanoate Edit

Chemical Property:

Appearance/Colour:clear colorless liquid
Vapor Pressure:1.33 hPa (34.2 °C)
Melting Point:-40 °C
Refractive Index:n20/D 1.418
Boiling Point:191.1 °C at 760 mmHg
Flash Point:72.8 °C
PSA：26.30000
Density:0.876 g/cm³
LogP:2.51990
Storage Temp.:−20°C
Solubility.:water: insoluble
Water Solubility.:Insoluble in water.
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:158.130679813
Heavy Atom Count:11
Complexity:99.7
Transport DOT Label:Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Methyl octanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 38
Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Esters, Other
Canonical SMILES:CCCCCCCC(=O)OC
Description Methyl octanoate has a powerful, winey, fruity, and orange-like odor with an oily, somewhat orange taste. Prepared from coconut fatty acids by alcoholysis in the presence of gaseous HCL. Octanoic acid methyl ester is a fatty acid methyl ester that has been found in biodiesels made from the transesterification of beef tallow, soybean oil, and babassu oil blends. It is an aromatic volatile compound in cantaloupe, galia, and honeydew melons.
Uses Methyl octanoate can be used as: A reactant to prepare C7 and C8 hydrocarbons by catalytic decarboxylation/decarbonylation reactions in the presence of Pt/Al2O3 catalyst.A component of biodiesel ?bioethanol surrogate fuel model to study its kinetics of oxidation. Intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants, plasticizers, flavoring. Methyl octanoate-ethanol mixtures constitute the biodiesel-bioethanol surrogate fuel and kinetics of its oxidation has been studied experimentally in a jet-stirred reactor. Deoxygenation of methyl octanoate over alumina-supported Pt has been studied in both the vapor phase in a flow reactor and in the liquid phase in a semi-batch reactor. It is also used to make other chemicals.

Technology Process of Methyl octanoate

There total 98 articles about Methyl 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: 99.0%