OLEYL ALCOHOL (CHEM007006)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 02:20:25 UTC
Update Date2016-10-28 10:03:02 UTC
Accession NumberCHEM007006
Identification
Common NameOLEYL ALCOHOL
ClassSmall Molecule
DescriptionA long chain fatty alcohol that is octadecanol containing a double bond located at position 9 (the Z-geoisomer).
Contaminant Sources
  • Cosmetic Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HMDB Contaminants - Feces
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
(9Z)-9-Octadecen-1-olChEBI
(Z)-9-Octadecen-1-olChEBI
(Z)-9-OctadecenolChEBI
(Z)-Octadec-9-en-1-olChEBI
cis-9-Octadecen-1-olChEBI
cis-9-OctadecenolChEBI
cis-9-Octadecenyl alcoholChEBI
Witcohol 85Kegg
OleolHMDB
Oleyl alcohol, (Z)-isomerHMDB
(9Z)-Octadecen-1-olHMDB
(9Z)-Octadec-9-en-1-olHMDB
(Z)-Octadec-9-enolHMDB
9(Z)-Octadecen-1-olHMDB
9-Octadecen-1-olHMDB
Adol 34HMDB
Adol 80HMDB
Adol 85HMDB
Adol 90HMDB
Anjecol 90NHMDB
Anjecol 90NRHMDB
Atalco OHMDB
Cachalot O-1HMDB
Cachalot O-15HMDB
Cachalot O-3HMDB
Cachalot O-8HMDB
cis-Laquo deltaraquo 9-octadecenolHMDB
cis-Octadecen-1-olHMDB
Conditioner 1HMDB
Crodacol a.10HMDB
Crodacol-OHMDB
DermaffineHMDB
Fancol oa-95HMDB
Francol oa-95HMDB
H.D. eutanolHMDB
HD Oleyl alcohol 70/75HMDB
HD Oleyl alcohol 80/85HMDB
HD Oleyl alcohol 90/95HMDB
HD Oleyl alcohol CGHMDB
HD-Echelon 90/95HMDB
HD-EutanolHMDB
HD-Ocenol 90/95HMDB
HD-Ocenol KHMDB
LancolHMDB
Lipocol OHMDB
Loxanol 95HMDB
Loxanol mHMDB
NovolHMDB
OcenolHMDB
OceolHMDB
Octadec-9-en-1-olHMDB
Octadec-9Z-enolHMDB
OctadecenolHMDB
Oleic alcoholHMDB
Oleo alcoholHMDB
Oleoyl alcoholHMDB
Oleyl alcohol (NF)HMDB
Olive alcoholHMDB
SatolHMDB
Sipol OHMDB
Siponol OCHMDB
Unjecol 110HMDB
Unjecol 50HMDB
Unjecol 70HMDB
Unjecol 90HMDB
Witcohol 90HMDB
Oleyl alcoholChEBI
Chemical FormulaC18H36O
Average Molecular Mass268.478 g/mol
Monoisotopic Mass268.277 g/mol
CAS Registry Number143-28-2
IUPAC Name(9Z)-octadec-9-en-1-ol
Traditional Nameconditioner 1
SMILES[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCO
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-KTKRTIGZSA-N
Chemical Taxonomy
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 Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
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
Polarizability37.09 ųChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - GC-MS (1 TMS)splash10-001j-9500000000-9817970c7d1b68f2bccfSpectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-053s-9100000000-d8df7ab27573592064e6Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-00ou-9730000000-dc2be84f918b8a55d7a7Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-00fr-9431000000-c3888097425e557a6b65Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0uxr-0190000000-3b216ec6d71eb9998e03Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-5790000000-f0ad0f4937df9c8267bfSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052f-9820000000-d17a9f91b7264f151279Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0090000000-553073d99b67f184268eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0090000000-5bbffeb7f9a05bde0518Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000g-9860000000-2e95c189adc4e73f7c65Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-4190000000-63789b3a849629ef04d7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0api-9210000000-4191049d1d23ffee3009Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4l-9000000000-a88ac09ef936fd6b3dbaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0090000000-f8d52a37bd931625f189Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0090000000-e153b7a5d11b4114a009Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-066u-6690000000-a3d12bef85e341d38e76Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0029632
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkOleyl_alcohol
Chemspider ID4447562
ChEBI ID73504
PubChem Compound ID5284499
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=20124754
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=21250692
3. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9.
4. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10.
5. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20.
6. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621.
7. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.
8. The lipid handbook with CD-ROM