Record Information
Version1.0
Creation date2015-10-09 22:31:33 UTC
Update date2017-01-19 02:36:30 UTC
FoodComEx IDPC000624
FoodDB RecordFDB012583
Chemical Information
Name1-Octanol
DescriptionOctanol, also known as capryl alcohol, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, octanol is considered to be a fatty alcohol lipid molecule. Octanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Octanol occurs naturally in the form of esters in some essential oils. The distribution of a compound between water and octanol is used to calculate the partition coefficient (logP) of that molecule. Water/octanol partitioning is a good approximation of the partitioning between the cytosol and lipid membranes of living systems. Octanol is a colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers.
CAS Number111-87-5
Structure
Thumb
Synonyms
SynonymSource
1-HydroxyoctaneChEBI
1-Octyl alcoholbiospider
1-OktanolChEBI
2-OctanolHMDB
2-Octanol ~99%HMDB
Alcohol C-8HMDB
Alcohol, n-octylbiospider
Alfol 8HMDB
Capryl alcoholbiospider
Caprylic alcoholdb_source
Dytol m-83HMDB
Emery 3322HMDB
Emery 3324HMDB
Epal 8HMDB
FEMA 2800db_source
Heptyl carbinolHMDB
Hexyl methyl carbinolHMDB
Lorol 20HMDB
Lorol C8HMDB
n-Capryl alcoholbiospider
n-Caprylic alcoholbiospider
N-Heptyl carbinolChEBI
n-Octan-1-olbiospider
n-Octanolbiospider
n-Octyl alcoholdb_source
N-Octyl-alcoholHMDB
Octan-1-olbiospider
Octan-2-ol 98+ %HMDB
OctilinHMDB
Octyl alcoholbiospider
Octyl alcohol normal-primaryHMDB
Octyl-alcoholHMDB
Prim-N-octyl alcoholHMDB
Primary octyl alcoholChEBI
Sipol L8HMDB
Chemical FormulaC8H18O
IUPAC nameoctan-1-ol
InChI IdentifierInChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChI KeyKBPLFHHGFOOTCA-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCCO
Average Molecular Weight130.2279
Monoisotopic Molecular Weight130.135765198
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP3.00HANSCH,C ET AL. (1995)
Experimental Water Solubility0.54 mg/mL at 25 oCBARTON,AFM (1984)
Melting PointMp -16.7°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 2 g
Delivery TimeNot Available
Storage Formliquid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci G493
Glentham GM6151
Toronto Research Chemicals O237900