Cas no 5693-14-1 (Butanedioic acid,2-octadecyl-)
Butanedioic acid,2-octadecyl- structure
Product Name:Butanedioic acid,2-octadecyl-
CAS No:5693-14-1
MF:C22H42O4
MW:370.566487789154
CID:371963
PubChem ID:110691
Update Time:2025-04-19
Butanedioic acid,2-octadecyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-octadecyl-
- 2-octadecylbutanedioic acid
- 2-octadecyl-succinic acid
- 2-Stearylbernsteinsaeure
- EINECS 227-161-1
- monoester of octadecylsuccinic acid
- Octadecyl-bernsteinsaeure
- octadecyl-succinic acid
- DTXSID10972365
- Octadecylsuccinic acid
- ZPJDFKVKOFGAFV-UHFFFAOYSA-N
- NS00046855
- n-octadecylsuccinic acid
- 5693-14-1
- monostearyl succinic acid
- SCHEMBL337797
-
- Inchi： 1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h20H,2-19H2,1H3,(H,23,24)(H,25,26)
- InChI Key： ZPJDFKVKOFGAFV-UHFFFAOYSA-N
- SMILES： OC(C(CC(=O)O)CCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 370.30800
- Monoisotopic Mass: 370.30831
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 20
- Complexity: 341
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6
- XLogP3: 8.8
Experimental Properties
- Density: 0.971
- Melting Point: 99-101°C
- Boiling Point: 480.6°Cat760mmHg
- Flash Point: 258.6°C
- Refractive Index: 1.473
- PSA: 74.60000
- LogP: 6.81350
Butanedioic acid,2-octadecyl- Security Information
- Safety Instruction： S22-S24/25
- Safety Term：S22;S24/25
Butanedioic acid,2-octadecyl- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
5693-14-1 (Butanedioic acid,2-octadecyl-) Related Products
- 595-37-9(Dimebutic acid)
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 626-51-7(3-Methylglutaric acid)
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- 97-61-0(2-Methyl-pentanoic Acid)
- 498-21-5(Methylsuccinic acid)
- 124-83-4((1R,3S)-Camphoric Acid)
- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 105-43-1(3-methylpentanoic acid)
- 99-66-1(Valproic acid)
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