Cas no 22725-64-0 (Octacosanal)
Octacosanal structure
Product Name:Octacosanal
Octacosanal Chemical and Physical Properties
Names and Identifiers
-
- Octacosanal
- LMFA06000108
- montanaldehyde
- 22725-64-0
- 1-octacosanal
- DTXSID40177260
- n-octacosanal
- Q27147827
- Z6QY5V3APV
- montanic aldehyde
- n-octacosan-1-al
- UNII-Z6QY5V3APV
- SCHEMBL1696133
- CHEBI:78441
-
- Inchi： InChI=1S/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h28H,2-27H2,1H3
- InChI Key： LVXORIXZNUNHGQ-UHFFFAOYSA-N
- SMILES： O=CCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 408.43338
- Monoisotopic Mass: 408.433
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 26
- Complexity: 286
- 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: 17.1A^2
- XLogP3: 13.6
Experimental Properties
- Density: 0.837
- Boiling Point: 410.1°C at 760 mmHg
- Flash Point: 213.4°C
- Refractive Index: 1.453
- PSA: 17.07
Octacosanal Related Literature
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Samia Rabah,Kahina Kouachi,Patrícia A. B. Ramos,Ana Peixoto Gomes,Adelaide Almeida,Hayate Haddadi-Guemghar,Khodir Madani,Armando J. D. Silvestre,Sónia A. O. Santos Food Funct. 2020 11 5257
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