Record Information |
---|
Version | 1.0 |
---|
Creation date | 2015-10-09 22:31:33 UTC |
---|
Update date | 2017-01-19 02:36:30 UTC |
---|
FoodComEx ID | PC000624 |
---|
FoodDB Record | FDB012583 |
---|
Chemical Information |
---|
Name | 1-Octanol |
---|
Description | Octanol, 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 Number | 111-87-5 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
1-Hydroxyoctane | ChEBI | 1-Octyl alcohol | biospider | 1-Oktanol | ChEBI | 2-Octanol | HMDB | 2-Octanol ~99% | HMDB | Alcohol C-8 | HMDB | Alcohol, n-octyl | biospider | Alfol 8 | HMDB | Capryl alcohol | biospider | Caprylic alcohol | db_source | Dytol m-83 | HMDB | Emery 3322 | HMDB | Emery 3324 | HMDB | Epal 8 | HMDB | FEMA 2800 | db_source | Heptyl carbinol | HMDB | Hexyl methyl carbinol | HMDB | Lorol 20 | HMDB | Lorol C8 | HMDB | n-Capryl alcohol | biospider | n-Caprylic alcohol | biospider | N-Heptyl carbinol | ChEBI | n-Octan-1-ol | biospider | n-Octanol | biospider | n-Octyl alcohol | db_source | N-Octyl-alcohol | HMDB | Octan-1-ol | biospider | Octan-2-ol 98+ % | HMDB | Octilin | HMDB | Octyl alcohol | biospider | Octyl alcohol normal-primary | HMDB | Octyl-alcohol | HMDB | Prim-N-octyl alcohol | HMDB | Primary octyl alcohol | ChEBI | Sipol L8 | HMDB |
|
---|
Chemical Formula | C8H18O |
---|
IUPAC name | octan-1-ol |
---|
InChI Identifier | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 |
---|
InChI Key | KBPLFHHGFOOTCA-UHFFFAOYSA-N |
---|
Isomeric SMILES | CCCCCCCCO |
---|
Average Molecular Weight | 130.2279 |
---|
Monoisotopic Molecular Weight | 130.135765198 |
---|
Chemical Taxonomy |
---|
Description | 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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Fatty Acyls |
---|
Sub Class | Fatty alcohols |
---|
Direct Parent | Fatty alcohols |
---|
Alternative Parents | |
---|
Substituents | - Fatty alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Physico-Chemical Properties - Experimental |
---|
Property | Value | Reference |
---|
Experimental logP | 3.00 | HANSCH,C ET AL. (1995) |
---|
Experimental Water Solubility | 0.54 mg/mL at 25 oC | BARTON,AFM (1984) |
---|
Melting Point | Mp -16.7° | DFC |
---|
|
Foods of Origin |
---|
Food | Content Range | Average | Reference |
---|
Food | | | Reference |
---|
|
Production Data |
---|
Production Method | commercial |
---|
Production Method Reference | Not Available |
---|
Production Method Reference File | Not Available |
---|
Quantity Available | Production upon request, up to 2 g |
---|
Delivery Time | Not Available |
---|
Storage Form | liquid |
---|
Storage Conditions | -80°C |
---|
Stability | Not Available |
---|
Purity | Not Available |
---|
Spectra |
---|
Spectral Data Upon Request | Not Available |
---|
Provider Information |
---|
|
Commercial Vendors |
---|
AKSci | G493 |
---|
Glentham | GM6151 |
---|
Toronto Research Chemicals | O237900 |
---|