Octanol
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 alcohols 2-octanol, 3-octanol and 4-octanol. Image File history File links 1-Octanol. ... IUPAC nomenclature is a system of naming chemical compounds and of describing the science of chemistry in general. ... This article or section does not cite any references or sources. ... The molecular mass (abbreviated Mr) of a substance, formerly also called molecular weight and abbreviated as MW, is the mass of one molecule of that substance, relative to the unified atomic mass unit u (equal to 1/12 the mass of one atom of carbon-12). ... CAS registry numbers are unique numerical identifiers for chemical compounds, polymers, biological sequences, mixtures and alloys. ... In physics, density is mass m per unit volume V. For the common case of a homogeneous substance, it is expressed as: where, in SI units: ρ (rho) is the density of the substance, measured in kg·m-3 m is the mass of the substance, measured in kg V is... The melting point of a crystalline solid is the temperature at which it changes state from solid to liquid. ... The boiling point of a substance is the temperature at which it can change its state from a liquid to a gas throughout the bulk of the liquid at a given pressure. ... The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of chemical molecules using short ASCII strings. ... Fatty alcohols are aliphatic alcohols derived from natural fats and oils. ... General Name, Symbol, Number carbon, C, 6 Chemical series nonmetals Group, Period, Block 14, 2, p Appearance black (graphite) colorless (diamond) Standard atomic weight 12. ... Properties In chemistry and physics, an atom (Greek ἄτομος or átomos meaning indivisible) is the smallest particle still characterizing a chemical element. ... In general usage, alcohol (from Arabic al-khwl الكحول, or al-ghawl الغول) refers almost always to ethanol, also known as grain alcohol, and often to any beverage that contains ethanol (see alcoholic beverage). ... In general usage, alcohol (from Arabic al-khwl الكحول, or al-ghawl الغول) refers almost always to ethanol, also known as grain alcohol, and often to any beverage that contains ethanol (see alcoholic beverage). ...

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. Other uses include experimental medical applications utilizing octanol to control certain types of involuntary tremors.{http://clinicaltrials.gov/ct/show/NCT00102596} A carboxylic acid ester. ... General information n-Octyl acetate is an ester that is formed from octanol (octyl alcohol) and acetic acid. ...

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]} Impact from a water drop causes an upward rebound jet surrounded by circular capillary waves. ... A substance is soluble in a fluid if it dissolves in the fluid. ... A partition coefficient is a measure of differential solubility of a compound in two solvents. ... The cytosol (cf. ... A polyunsaturated triglyceride. ... A biological membrane or biomembrane is an enclosing or separating tissue which acts as a barrier within or around a cell. ...

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]: The stratum corneum (the horny layer) is the outermost layer of the epidermis (the outermost layer of the skin). ...

log(K_{sc / w}) = a + blog(K_{w / o})

Where a and b are constants, K_{sc / w} is the stratum corneum/ water partition coefficient, and K_{o / w} is the water/ octanol partition coefficient. The values of a and b vary between papers, but Cleek & Bunge ^[2] have reported the values a=0, b=0.74.

References

1. ^ McCarley KD, Bunge AL (2001). "Pharmacokinetic Models of Dermal Absorption". Journal of Pharmaceutical Sciences 90 (11): 1699-1719. PMID 11745728. 
2. ^ Cleek RL, Bunge AL (1993). "A new method for estimating dermal absorption from chemical exposure. 1. General approach.". Pharmaceutical Research 10 (4): 497-506. PMID 8483831.