Cas no 112576-46-2 (Octane, 2-(or6)-ethoxy-2,6-dimethyl-)
112576-46-2 structure
Product Name:Octane, 2-(or6)-ethoxy-2,6-dimethyl-
CAS No:112576-46-2
MF:C12H26O
MW:186.334244251251
CID:182129
PubChem ID:86129
Update Time:2025-04-19
Octane, 2-(or6)-ethoxy-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 2-(or6)-ethoxy-2,6-dimethyl-
- 2-ethoxy-2,6-dimethyloctane
- 112576-46-2
- Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
- DTXSID40869552
-
- Inchi： 1S/C12H26O/c1-6-11(3)9-8-10-12(4,5)13-7-2/h11H,6-10H2,1-5H3
- InChI Key： KGVPDQAYYZRUIJ-UHFFFAOYSA-N
- SMILES： O(CC)C(C)(C)CCCC(C)CC
Computed Properties
- Exact Mass: 186.19848
- Monoisotopic Mass: 186.198365
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 118
- 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: 9.2
- XLogP3: 4.2
Experimental Properties
- Density: 0.798
- Boiling Point: 201.7°Cat760mmHg
- Flash Point: 63.2°C
- Refractive Index: 1.422
- PSA: 9.23
Octane, 2-(or6)-ethoxy-2,6-dimethyl- Related Literature
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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