Cas no 68154-28-9 (Fatty acids, C18, Bu esters)
Fatty acids, C18, Bu esters structure
Product Name:Fatty acids, C18, Bu esters
CAS No:68154-28-9
MF:C22H44O2
MW:340.583567619324
CID:1725528
Update Time:2022-07-26
Fatty acids, C18, Bu esters Chemical and Physical Properties
Names and Identifiers
-
- Fatty acids, C18, Bu esters
- (C18) Fatty acid, butyl ester
- Einecs 268-908-1
-
- Inchi： 1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
- InChI Key： ULBTUVJTXULMLP-UHFFFAOYSA-N
- SMILES： C(OCCCC)(=O)CCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 340.334
- Monoisotopic Mass: 340.334
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 20
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Color/Form: Yellowish liquid or semi-solid
- Density: 11.4 (AIR= 1)
- Melting Point: 18-23℃
- Boiling Point: 220℃ (25 mmHg)
- Flash Point: STABILITY
- Refractive Index: n20/D 1.443
- PSA: 26.30000
- LogP: 7.59120
Fatty acids, C18, Bu esters Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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