Cas no 27213-43-0 ((2z,4z,6z)-octadeca-2,4,6-trienoic Acid)
27213-43-0 structure
Product Name:(2z,4z,6z)-octadeca-2,4,6-trienoic Acid
CAS No:27213-43-0
MF:C18H30O2
MW:278.429605960846
CID:1429181
PubChem ID:6443051
Update Time:2025-04-20
(2z,4z,6z)-octadeca-2,4,6-trienoic Acid Chemical and Physical Properties
Names and Identifiers
-
- (2Z,4Z,6Z)-octadeca-2,4,6-trienoic acid
- 27213-43-0
- 5(Z),9(Z),12(Z)-OCTADECATRIENOIC ACID
- (2z,4z,6z)-octadeca-2,4,6-trienoic Acid
-
- Inchi： 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-17H,2-11H2,1H3,(H,19,20)/b13-12-,15-14-,17-16-
- InChI Key： ZUUFLXSNVWQOJW-DXYMGFMTSA-N
- SMILES： OC(/C=C\C=C/C=C\CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 278.2247
- Monoisotopic Mass: 278.22458
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 13
- Complexity: 301
- 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
- Topological Polar Surface Area: 37.3
- XLogP3: 7.2
Experimental Properties
- Density: 0.924
- Boiling Point: 422.2°C at 760 mmHg
- Flash Point: 316°C
- Refractive Index: 1.49
- PSA: 37.3
- LogP: 5.66050
(2z,4z,6z)-octadeca-2,4,6-trienoic Acid Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
27213-43-0 ((2z,4z,6z)-octadeca-2,4,6-trienoic Acid) Related Products
- 1871-67-6(trans-2-Octenoic Acid)
- 18999-28-5(2-Heptenoic acid)
- 1289-45-8(Dodecenoic acid)
- 72881-27-7(Milk lactone)
- 3760-11-0(2-Nonenoic acid)
- 128397-09-1(Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-,(3b,3'a,4b,4'a,8a,9b,10a,13a,14b)-)
- 10352-88-2(hept-2-enoic acid)
- 15790-94-0(trans-2-Undecenoic acid)
- 1470-50-4(oct-2-enoic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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