(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid

Base Information

Chemical Name:(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
CAS No.:111004-08-1
Molecular Formula:C18H30 O4
Molecular Weight:310.434
Hs Code.:
DSSTox Substance ID:DTXSID101180640
Wikidata:Q27130373
Metabolomics Workbench ID:2060
Mol file:111004-08-1.mol

Synonyms:10,12,15-octadecatrienoic acid 9-hydroperoxy;9-hydroperoxy-10,12,15-octadecatrienoic acid;HPOTA

Suppliers and Price of (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic 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

TRC
9(S)-HPOT
5mg
$ 1470.00

Cayman Chemical
9(S)-HpOTrE ≥98%
500μg
$ 875.00

Cayman Chemical
9(S)-HpOTrE ≥98%
100μg
$ 250.00

Cayman Chemical
9(S)-HpOTrE ≥98%
1mg
$ 1400.00

American Custom Chemicals Corporation
9(S)-HPOT 95.00%
1MG
$ 883.05

American Custom Chemicals Corporation
9(S)-HPOT 95.00%
5MG
$ 1504.50

AK Scientific
9(S)-HPOT
1mg
$ 1990.00

Total 10 raw suppliers

Chemical Property of (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid

Chemical Property:

Vapor Pressure:1.2E-10mmHg at 25°C
Boiling Point:466.1°Cat760mmHg
PKA:4.78±0.10(Predicted)
Flash Point:158.9°C
PSA：66.76000
Density:1.016g/cm³
LogP:5.12860
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:310.21440943
Heavy Atom Count:22
Complexity:345

Purity/Quality:

98%Min ^*data from raw suppliers

9(S)-HPOT ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC=CCC=CC=CC(CCCCCCCC(=O)O)OO
Isomeric SMILES:CC/C=C\C/C=C\C=C\[C@H](CCCCCCCC(=O)O)OO
Uses 9(S)-HPOT, is a monohydroperoxy polyunsaturated fatty acid produced by the action of 5-lipoxygenase (5-LO) on α-linolenic acid.

Technology Process of (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid

There total 2 articles about (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic 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: 65.0%

: 463-40-1,1955-33-5,21661-10-9,21661-09-6,21661-13-2,21661-11-0
(9Z,12Z,15Z)-octadeca-9-12,15-trienoic acid

: 111004-08-1
(9S,10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoic acid

Guidance literature:: With lipoxygenase from tomato; oxygen; for 4h; pH=5.7; Enzymatic reaction;
DOI:10.1016/S0040-4020(02)00231-4

Reference yield:

: 463-40-1,1955-33-5,21661-10-9,21661-09-6,21661-13-2,21661-11-0
(9Z,12Z,15Z)-octadeca-9-12,15-trienoic acid

: 9(S),10-dihydroxyoctadecatrienoic acid

: 111004-08-1
(9S,10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoic acid

: 9(S),16-dihydroxy-10(E),12(Z),14(E)-octadecatrienoic acid

: 9(S),16-dihydroxy-10(E),12(E),14(E)-octadecatrienoic acid

Guidance literature:: With phosphate buffer; potato lipoxygenase; In water; at 25 ℃; for 0.333333h; Mechanism; var. plant lipoxygenase (soyabean);
DOI:10.1021/jf00048a011