n-Octylmalonic acid

Base Information

Chemical Name:n-Octylmalonic acid
CAS No.:760-55-4
Molecular Formula:C11H20 O4
Molecular Weight:216.277
Hs Code.:2917190090
European Community (EC) Number:658-659-0
DSSTox Substance ID:DTXSID80226903
Nikkaji Number:J127.686G
Wikidata:Q83106476
Mol file:760-55-4.mol

Synonyms:n-Octylmalonic acid;760-55-4;Propanedioic acid,2-octyl-;Propanedioic acid, octyl-;2-octylpropanedioic acid;nonanedicarboxylic;alpha,alpha-DC11;2-octylmalonic acid;Malonic acid, octyl-;SCHEMBL271636;C8H17CH(CO2H)2;DTXSID80226903;AKOS024368660

Suppliers and Price of n-Octylmalonic acid

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

American Custom Chemicals Corporation
2-OCTYLMALONIC ACID 95.00%
5MG
$ 497.73

Total 4 raw suppliers

Chemical Property of n-Octylmalonic acid

Chemical Property:

Vapor Pressure:9.86E-07mmHg at 25°C
Melting Point:116°C
Refractive Index:1.4397 (estimate)
Boiling Point:377.3°C at 760 mmHg
Flash Point:196.1°C
PSA：74.60000
Density:1.082g/cm³
LogP:2.52240
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:216.13615911
Heavy Atom Count:15
Complexity:187

Purity/Quality:

99% ^*data from raw suppliers

2-OCTYLMALONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCC(C(=O)O)C(=O)O

Technology Process of n-Octylmalonic acid

There total 11 articles about n-Octylmalonic acid 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: 100.0%

: 1472-85-1
diethyl octylmalonate

: 760-55-4
octylmalonic acid

Guidance literature:: With water; sodium hydroxide; In methanol; at 70 ℃; for 1h;
DOI:10.3762/bjoc.17.135

Reference yield: 66.0%

: 334-48-5
1-decanoic acid

: 124-38-9,18923-20-1
carbon dioxide

: 760-55-4
octylmalonic acid

Guidance literature:: 1-decanoic acid; With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium diisopropyl amide; In tetrahydrofuran; at -40 - 22 ℃;

carbon dioxide; In tetrahydrofuran; at -40 - 22 ℃; for 12h;
DOI:10.1021/acs.langmuir.7b03833

Reference yield:

: 629-27-6
1-Iodooctane

: 105-56-6
ethyl 2-cyanoacetate

: 760-55-4
octylmalonic acid

Guidance literature:: With potassium carbonate; at 120 ℃; under 14 Torr; dann auf 160-167grad und Verseifen des Reaktionsprodukts mit Natronlauge auf dem Wasserbad;