Record Information
Version1.0
Creation date2010-04-08 22:04:43 UTC
Update date2019-11-26 02:55:26 UTC
Primary IDFDB000802
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameOleyl alcohol
DescriptionOleyl alcohol belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, oleyl alcohol is considered to be a fatty alcohol lipid molecule. Oleyl alcohol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
CAS Number143-28-2
Structure
Thumb
Synonyms
SynonymSource
(9Z)-9-Octadecen-1-olHMDB
(Z)-9-Octadecen-1-olHMDB
cis-9-Octadecen-1-olHMDB
cis-9-Octadecenyl alcoholHMDB
Elaidyl alcoholHMDB
OleolHMDB
( Z)-9-OctadecenolHMDB
(9Z)-Octadec-9-en-1-olbiospider
(Z)-9-Octadecenolbiospider
(Z)-Octadec-9-enolbiospider
9-Octadecen-1-olbiospider
9(Z)-Octadecen-1-olHMDB
Adol 34biospider
Adol 80biospider
Adol 85biospider
Adol 90biospider
Anjecol 90NHMDB
Anjecol 90nrHMDB
Atalco obiospider
Cachalot O-1biospider
Cachalot O-15HMDB
Cachalot O-3HMDB
Cachalot O-8HMDB
cis-Laquo deltaraquo 9-octadecenolHMDB
cis-Octadecen-1-olbiospider
Conditioner 1HMDB
Crodacol A.10biospider
Crodacol-OHMDB
DermaffineHMDB
Fancol oa-95HMDB
Francol OA-95db_source
H.D. eutanolHMDB
HD oleyl alcohol 70/75biospider
HD oleyl alcohol 80/85biospider
HD oleyl alcohol 90/95biospider
HD oleyl alcohol CGbiospider
HD-echelon 90/95HMDB
HD-eutanolbiospider
HD-Ocenol 90/95biospider
HD-ocenol kHMDB
Lancolbiospider
Lipocol obiospider
Loxanol 95biospider
Loxanol mbiospider
Novolbiospider
Ocenolbiospider
Oceolbiospider
Octadec-9-en-1-olbiospider
Octadec-9Z-enolbiospider
Octadecenolbiospider
Oleic alcoholdb_source
Oleo alcoholHMDB
Oleoyl alcoholbiospider
Oleyl alcoholdb_source
Oleyl alcohol (NF)HMDB
Olive alcoholHMDB
Satolbiospider
Sipol obiospider
Siponol ocbiospider
Unjecol 110biospider
Unjecol 50biospider
Unjecol 70biospider
Unjecol 90biospider
Witcohol 85biospider
Witcohol 90biospider
Predicted Properties
PropertyValueSource
Water Solubility4.7e-05 g/LALOGPS
logP7.91ALOGPS
logP6.67ChemAxon
logS-6.8ALOGPS
pKa (Strongest Acidic)16.84ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count15ChemAxon
Refractivity87.67 m³·mol⁻¹ChemAxon
Polarizability37.66 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC18H36O
IUPAC name(9E)-octadec-9-en-1-ol
InChI IdentifierInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9+
InChI KeyALSTYHKOOCGGFT-MDZDMXLPSA-N
Isomeric SMILESCCCCCCCC\C=C\CCCCCCCCO
Average Molecular Weight268.4778
Monoisotopic Molecular Weight268.276615774
Classification
Description Belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohols
Direct ParentLong-chain fatty alcohols
Alternative Parents
Substituents
  • Long chain fatty alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionC 80.53%; H 13.51%; O 5.96%DFC
Melting Point6.5 oC
Boiling PointBp15 205-210°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd204 0.85DFC
Refractive Indexn20D 1.4607DFC
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSOleyl alcohol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0gc9-9840000000-5d10c2f4696dd1b69437Spectrum
Predicted GC-MSOleyl alcohol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-00fr-9431000000-c3888097425e557a6b65Spectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0uxr-0090000000-a320ac11b55d3ba634702017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-5790000000-4963054630bc4c6a63222017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052f-9820000000-3a9c1382b711967474b72017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0090000000-59da0ad6ca8c56359d7a2017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0090000000-50d83744634f5d4b84172017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-009g-9750000000-15ed7bd2a8c7fd3186fc2017-09-01View Spectrum
NMRNot Available
ChemSpider ID4519153
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID5367665
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB29632
CRC / DFC (Dictionary of Food Compounds) IDCPM76-D:BHV54-Z
EAFUS ID2805
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1270841
SuperScent IDNot Available
Wikipedia IDOleyl_alcohol
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
fatty
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
animal
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference