Cas no 69868-07-1 (2-Ethyltridecanoic acid)
2-Ethyltridecanoic acid structure
Product Name:2-Ethyltridecanoic acid
CAS No:69868-07-1
MF:C15H30O2
MW:242.397505283356
CID:516503
PubChem ID:112166
Update Time:2025-04-19
2-Ethyltridecanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Ethyltridecanoic acid
- Tridecanoic acid, 2-ethyl-
- NS00061835
- 69868-07-1
- DTXSID90887680
- EINECS 274-169-6
- 2-Athyl-tridecansaure
- SCHEMBL1645397
-
- Inchi： 1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14(4-2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
- InChI Key： JOYFPRCUHVNXEU-UHFFFAOYSA-N
- SMILES： OC(C(CC)CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 242.2247
- Monoisotopic Mass: 242.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 178
- 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
- XLogP3: 6.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.8666 (rough estimate)
- Boiling Point: 333.77°C (estimate)
- Flash Point: 197.4°C
- Refractive Index: 1.4335 (estimate)
- PSA: 37.3
2-Ethyltridecanoic acid Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
69868-07-1 (2-Ethyltridecanoic acid) Related Products
- 595-37-9(Dimebutic acid)
- 597-43-3(2,2-Dimethylsuccinic acid)
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 619-81-8(Cis-1,2-Cyclohexanedicarboxylic Acid)
- 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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