Colneleic acid

Base Information

Chemical Name:Colneleic acid
CAS No.:52761-34-9
Molecular Formula:C18H30O3
Molecular Weight:294.434
Hs Code.:2918990090
DSSTox Substance ID:DTXSID501214758
Wikidata:Q27130252
Metabolomics Workbench ID:4704
Mol file:52761-34-9.mol

Synonyms:9-(nona-1',3'-dienoxy)non-8-enoic acid;colneleic acid

Suppliers and Price of Colneleic 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

Total 4 raw suppliers

Chemical Property of Colneleic acid

Chemical Property:

Vapor Pressure:7.2E-09mmHg at 25°C
Boiling Point:437.3°C at 760 mmHg
Flash Point:147.8°C
PSA：46.53000
Density:0.957g/cm³
LogP:5.59210
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:14
Exact Mass:294.21949481
Heavy Atom Count:21
Complexity:316

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC=CC=COC=CCCCCCCC(=O)O
Isomeric SMILES:CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O

Technology Process of Colneleic acid

There total 4 articles about Colneleic 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:

: 5502-91-0,7324-20-1,26911-36-4,28396-96-5,39692-45-0,63121-49-3,65941-74-4,67597-24-4,90760-93-3,100018-30-2,104759-96-8,122046-44-0,123410-63-9,29774-12-7
9(S)-hydroperoxyoctadeca-10Z,12E-dienoic acid

: 3788-56-5
9-hydroxynonanoic acid

: 9,10-epoxy-11-hydroxy-12-octadecenoic acid

: 52761-34-9
(8E,1'E,3'Z)-9-(1',3'-nonadienyloxy)-8-nonenoic acid

Guidance literature:: With recombinant divinyl ether synthase 9-DES of tobacco (Nicotiana tabacum); In aq. phosphate buffer; at 23 ℃; for 0.25h; pH=7.5; Enzymatic reaction;
DOI:10.1016/j.phytochem.2020.112512

Reference yield:

: 60-33-3,116745-32-5,26085-09-6,64080-88-2,7049-66-3,949900-18-9,60476-23-5,6144-28-1,67922-65-0,89718-18-3
linoleic acid

: 3788-56-5
9-hydroxynonanoic acid

: 9,10-epoxy-11-hydroxy-12-octadecenoic acid

: 52761-34-9
(8E,1'E,3'Z)-9-(1',3'-nonadienyloxy)-8-nonenoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: recombinant maize 9-lipoxygenase; oxygen / aq. phosphate buffer / 0 °C / pH 6 / Enzymatic reaction

2: recombinant divinyl ether synthase 9-DES of tobacco (Nicotiana tabacum) / aq. phosphate buffer / 0.25 h / 23 °C / pH 7.5 / Enzymatic reaction

With recombinant maize 9-lipoxygenase; oxygen; recombinant divinyl ether synthase 9-DES of tobacco (Nicotiana tabacum); In aq. phosphate buffer;
DOI:10.1016/j.phytochem.2020.112512

Reference yield:

: 5502-91-0,7324-20-1,26911-36-4,28396-96-5,39692-45-0,63121-49-3,65941-74-4,67597-24-4,90760-93-3,100018-30-2,104759-96-8,122046-44-0,123410-63-9,29774-12-7
9(S)-hydroperoxyoctadeca-10Z,12E-dienoic acid

: 5503-03-7,70144-92-2,26369-27-7
(12Z)-9-hydroxy-10-oxo-12-octadecenoic acid

: 52761-34-9
(8E,1'E,3'Z)-9-(1',3'-nonadienyloxy)-8-nonenoic acid

: 169217-38-3
12-[1′(E)-hexenyloxy]-9(Z),11(E)-dodecadienoic acid

Guidance literature:: With cell-free preparation from Convallaria majalis roots; for 0.0833333h; pH=7.5; aq. buffer;
DOI:10.1016/j.phytochem.2008.09.011