| Common Name |
Oleyl acetate
| Description |
Oleyl acetate is used as a food additive [EAFUS] (“EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]”).
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB37127 (Oleyl acetate)
| Synonyms |
| Value |
Source |
9-Octadecen-1-yl acetateHMDB
Acetate(Z)-9-octadecen-1-olHMDB
Acetic acid oleyl esterHMDB
Acetic acid, 9-octadecenyl esterHMDB
Acetic acid, oleyl esterHMDB
Z-9-Octadecen-1-ol acetateHMDB
| Chemical Formlia |
C20H38O2
| Average Molecliar Weight |
310.5145
| Monoisotopic Molecliar Weight |
310.28718046
| IUPAC Name |
(9E)-octadec-9-en-1-yl acetate
| Traditional Name |
(9E)-octadec-9-en-1-yl acetate
| CAS Registry Number |
693-80-1
| SMILES |
CCCCCCCCC=CCCCCCCCCOC(C)=O
| InChI Identifier |
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10+
| InChI Key |
GYGAZRPDUOHMAF-ZHACJKMWSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
| Kingdom |
Organic compounds
| Super Class |
Lipids and lipid-like moleclies
| Class |
Fatty Acyls
| Sub Class |
Fatty alcohol esters
| Direct Parent |
Fatty alcohol esters
| Alternative Parents |
Acetate salts
Carboxylic acid esters
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Fatty alcohol ester
Acetate salt
Carboxylic acid ester
Carboxylic acid derivative
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
Wax monoesters (LMFA07010397 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Cell signaling
Fuel and energy storage
Fuel or energy source
Membrane integrity/stability
Nutrient
| Application |
Nutrient
Stabilizers
Surfactants and Emlisifiers
| Cellliar locations |
Extracellliar
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility1.84e-05 mg/mLALOGPS
logP8.31ALOGPS
logP7.11ChemAxon
logS-7.2ALOGPS
pKa (Strongest Basic)-7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 Å2ChemAxon
Rotatable Bond Count17ChemAxon
Refractivity96.82 m3·mol-1ChemAxon
Polarizability41.97 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
Not Available
| Biological Properties |
| Cellliar Locations |
Extracellliar
Membrane
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB016121
| KNApSAcK ID |
Not Available
| Chemspider ID |
4519145
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB37127
| Metagene Link |
HMDB37127
| METLIN ID |
Not Available
| PubChem Compound |
5367657
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: N-Acetyl-DL-phenylalanine
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 11368358
