Cas no 13126-38-0 (12-Octadecenoic acid,(12E)-)
12-Octadecenoic acid,(12E)- structure
Product Name:12-Octadecenoic acid,(12E)-
CAS No:13126-38-0
MF:C18H34O2
MW:282.461366176605
CID:119313
PubChem ID:5282762
Update Time:2025-04-18
12-Octadecenoic acid,(12E)- Chemical and Physical Properties
Names and Identifiers
-
- 12-Octadecenoic acid,(12E)-
- (12E)-12-Octadecenoic acid
- TRANS-12-OCTADECENOIC ACID (C18:1,*(TRANS-12))
- 12(Z)-octadecenoic acid
- 12c-Octadecensaeure
- 12E-octadecenoic acid
- 12-oleic acid
- 12Z-octadecenoic acid
- AC1NR0QW
- AG-G-92310
- cis-12-Octadecenoic acid
- octadecenic acid
- petroselenic acid
- trans-12-elaidic acid
- trans-12-octadecenoic acid
- 12-Octadecenoic acid, (12E)-
- (E)-octadec-12-enoicacid
- 13126-38-0
- LMFA01030079
- SCHEMBL2318558
- octadec-12-enoic acid
- 7378-88-3
- SCHEMBL1427787
- (E)-octadec-12-enoic acid
- 12-Octadecenoic acid
- CHEBI:196197
- DTXSID701009343
-
- Inchi： 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,8-17H2,1H3,(H,19,20)/b7-6+
- InChI Key： OXEDXHIBHVMDST-VOTSOKGWSA-N
- SMILES： OC(CCCCCCCCCC/C=C/CCCCC)=O
Computed Properties
- Exact Mass: 282.25602
- Monoisotopic Mass: 282.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 15
- Complexity: 234
- 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
- XLogP3: 6.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.899
- Boiling Point: 398.2°C at 760 mmHg
- Flash Point: 295°C
- Refractive Index: 1.466
- PSA: 37.3
- LogP: 6.10850
12-Octadecenoic acid,(12E)- Related Literature
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Zongyao Huyan,Nicoletta Pellegrini,Wilma Steegenga,Edoardo Capuano Food Funct. 2022 13 4513
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Feng Zhang,Jia Xu,Yanzhou Hu,Jingjing Fang,Minglan Yang,Kunlun Huang,Wentao Xu,Xiaoyun He Food Funct. 2023 14 7642
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Jianfeng Jin,Ulf Hanefeld Chem. Commun. 2011 47 2502
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Wen-Sen He,Lingling Li,Jiaxin Rui,Junjie Li,Yuying Sun,Dandan Cui,Bin Xu Food Funct. 2020 11 4275
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Valerie J. Paul,Raphael Ritson-Williams,Koty Sharp Nat. Prod. Rep. 2011 28 345
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