Cas no 3131-67-7 (9,12,15-Octadecatrienoic-1-14Cacid, (Z,Z,Z)- (9CI))
3131-67-7 structure
Product Name:9,12,15-Octadecatrienoic-1-14Cacid, (Z,Z,Z)- (9CI)
CAS No:3131-67-7
MF:C18H30O2
MW:280.422147274017
CID:294878
PubChem ID:102602067
Update Time:2025-04-19
9,12,15-Octadecatrienoic-1-14Cacid, (Z,Z,Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 9,12,15-Octadecatrienoic-1-14Cacid, (Z,Z,Z)- (9CI)
- Linolenic-1-14Cacid (6CI,7CI)
- 3131-67-7
- Linolenic acid,[9,12,15-1-14c]
-
- Inchi： 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-/i18+2
- InChI Key： DTOSIQBPPRVQHS-OCKYDXLXSA-N
- SMILES： O[14C](CCCCCCC/C=C\C/C=C\C/C=C\CC)=O
Computed Properties
- Exact Mass: 280.22782218g/mol
- Monoisotopic Mass: 280.22782218g/mol
- Isotope Atom Count: 1
- 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
- XLogP3: 5.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 5.66050
9,12,15-Octadecatrienoic-1-14Cacid, (Z,Z,Z)- (9CI) Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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