Cas no 10507-50-3 (13-Docosenoic acid,1-methylethyl ester, (13Z)-)
10507-50-3 structure
Product Name:13-Docosenoic acid,1-methylethyl ester, (13Z)-
CAS No:10507-50-3
MF:C25H48O2
MW:380.647428512573
CID:155756
PubChem ID:6436373
Update Time:2025-04-19
13-Docosenoic acid,1-methylethyl ester, (13Z)- Chemical and Physical Properties
Names and Identifiers
-
- 13-Docosenoic acid,1-methylethyl ester, (13Z)-
- isopropyl (Z)-docos-13-enoate
- propan-2-yl docos-13-enoate
- 1-methylethyl (13Z)-docos-13-enoate
- Einecs 234-039-1
- (Z)-13-Docosenoic acid isopropyl ester
- propan-2-yl (Z)-docos-13-enoate
- 1-Methylethyl (13Z)-13-docosenoate
- isopropyl erucate
- Isopropyl(Z)-docos-13-enoate
- NS00054449
- DTXSID101295633
- 10507-50-3
-
- Inchi： 1S/C25H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24(2)3/h11-12,24H,4-10,13-23H2,1-3H3/b12-11-
- InChI Key： LSVOEQJPCKJJLA-QXMHVHEDSA-N
- SMILES： O(C(C)C)C(CCCCCCCCCCC/C=C\CCCCCCCC)=O
Computed Properties
- Exact Mass: 380.36564
- Monoisotopic Mass: 380.365431
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 21
- Complexity: 333
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 10.6
Experimental Properties
- Density: 0.867
- Boiling Point: 446.9°C at 760 mmHg
- Flash Point: 79°C
- Refractive Index: 1.457
- PSA: 26.3
13-Docosenoic acid,1-methylethyl ester, (13Z)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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