Octanol
From Wikipedia, the free encyclopedia
| Octanol | |
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| Chemical name | 1-octanol |
| Other names | capryl alcohol octyl alcohol |
| Chemical formula | C8H18O |
| Molecular mass | 130.23 g/mol |
| CAS number | [111-87-5] |
| Density | 0.824 g/cm3 |
| Melting point | -16 °C |
| Boiling point | 195 °C |
| SMILES | CCCCCCCCO |
| Disclaimer and references | |
Octanol is a straight chain fatty alcohol with eight carbon atoms and the molecular formula CH3(CH2)7OH. Although the term octanol usually refers exclusively to the primary alcohol 1-octanol, there are other less common isomers of octanol such as the secondary alcohol, 2-octanol.
Octanol occurs naturally in the form of esters in some essential oils. The primary use of octanol is in the manufacture of various esters (both synthetic and naturally occurring), such as octyl acetate, which are used in perfumery and flavors.
[edit] Water/ octanol partitioning
Octanol and water are immiscible. The distribution of a compound between water and octanol is used to calculate the partition coefficient (log P) of that molecule. Water/ octanol partitioning is a good approximation of the partitioning between the cytosol and lipid membranes of living systems.[citation needed]
Many dermal absorption models consider the stratum corneum/ water partition coefficient to be well approximated by a function of the water/ octanol partition coefficient of the form [1]:
Where a and b are constants, Ksc / w is the stratum corneum/ water partition coefficient, and Ko / w is the water/ octanol partition coefficient. The values of a and b vary between papers, but [2] uses the values a=0, b=0.74.
- ^ McCarley, Kelly D., Bunge, Annette L. (Nov 2001). "Pharmacokinetic Models of Dermal Absorption". Journal of Pharmaceutical Sciences 90 (11): 1699-1719.
- ^ Cleek, R L, Bunge, Annette L. (Nov 2001). "A new method for estimating dermal absorption from chemical exposure. 1. General approach.". Pharmaceutical Research 12: 88-95.
