Cas no 67923-85-7 (8,8-bis(isotridecyloxy)-2,6-dimethyloctan-2-ol)
67923-85-7 structure
Product Name:8,8-bis(isotridecyloxy)-2,6-dimethyloctan-2-ol
CAS No:67923-85-7
MF:C36H74O3
MW:554.970972537994
CID:967837
PubChem ID:106973
Update Time:2025-04-19
8,8-bis(isotridecyloxy)-2,6-dimethyloctan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 8,8-bis(isotridecyloxy)-2,6-dimethyloctan-2-ol
- 67923-85-7
- 2-Octanol, 8,8-bis(isotridecyloxy)-2,6-dimethyl-
- EINECS 267-789-3
- NS00122623
- DTXSID60987303
- Hydroxycitronellal diisotridecyl acetal
- 2,6-dimethyl-8,8-bis[(11-methyldodecyl)oxy]octan-2-ol
-
- Inchi： 1S/C36H74O3/c1-32(2)25-20-16-12-8-10-14-18-22-29-38-35(31-34(5)27-24-28-36(6,7)37)39-30-23-19-15-11-9-13-17-21-26-33(3)4/h32-35,37H,8-31H2,1-7H3
- InChI Key： JQDHIJAKFLEAIM-UHFFFAOYSA-N
- SMILES： O(CCCCCCCCCCC(C)C)C(CC(C)CCCC(C)(C)O)OCCCCCCCCCCC(C)C
Computed Properties
- Exact Mass: 554.564
- Monoisotopic Mass: 554.564
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 39
- Rotatable Bond Count: 30
- Complexity: 458
- 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: 14.1
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- Density: 0.874
- Boiling Point: 598.6°C at 760 mmHg
- Flash Point: 315.8°C
- Refractive Index: 1.459
8,8-bis(isotridecyloxy)-2,6-dimethyloctan-2-ol Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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