Cas no 19356-22-0 (9,12,15-Octadecatrieneperoxoicacid, (Z,Z,Z)- (9CI))
19356-22-0 structure
Product Name:9,12,15-Octadecatrieneperoxoicacid, (Z,Z,Z)- (9CI)
CAS No:19356-22-0
MF:C18H30O3
MW:294.429006099701
CID:178938
PubChem ID:6439905
Update Time:2025-04-19
9,12,15-Octadecatrieneperoxoicacid, (Z,Z,Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 9,12,15-Octadecatrieneperoxoicacid, (Z,Z,Z)- (9CI)
- 13-hydroperoxylinolenic acid
- (9Z,12Z,15Z)-octadeca-9,12,15-trieneperoxoic acid
- LINOLENATEHYDROPEROXIDE
- LINOLENICACIDHYDROPEROXIDE
- α-Linorenic acid hydroperoxide
- (9Z,12Z,15Z)-9,12,15-Octadecatrieneperoxoic acid
- 9,12,15-Octadecatrieneperoxoic acid (Z,Z,Z)
- SCHEMBL3048604
- Linolenic hydroperoxide
- 19356-22-0
- OEYKGJFTEBHJCL-PDBXOOCHSA-N
- Linolenate hydroperoxide
- Linolenic (18-3) acid peroxide
- linolenic acid hydroperoxide
- Peroxylinolenic acid
- DTXSID501237609
- 12,13-epoxylinolenic acid
-
- Inchi： 1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20/h3-4,6-7,9-10,20H,2,5,8,11-17H2,1H3/b4-3-,7-6-,10-9-
- InChI Key： OEYKGJFTEBHJCL-PDBXOOCHSA-N
- SMILES： O(C(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)O
Computed Properties
- Exact Mass: 294.2196
- Monoisotopic Mass: 294.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 14
- Complexity: 316
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.0726 (rough estimate)
- Boiling Point: 376.19°C (rough estimate)
- Refractive Index: 1.5450 (estimate)
- PSA: 46.53
9,12,15-Octadecatrieneperoxoicacid, (Z,Z,Z)- (9CI) Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Peroxycarboxylic acids
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Peroxycarboxylic acids and derivatives Peroxycarboxylic acids
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