| Common Name |
5Z-Octenyl acetate
| Description |
5Z-Octenyl acetate is found in fruits. 5Z-Octenyl acetate is a constituent of bananas.5Z-Octenyl acetate belongs to the family of Fatty Alcohol Esters. These are ester derivatives of a fatty alcohol.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29358 (5Z-Octenyl acetate)
| Synonyms |
Not Available
| Chemical Formlia |
C10H18O2
| Average Molecliar Weight |
170.2487
| Monoisotopic Molecliar Weight |
170.13067982
| IUPAC Name |
(5Z)-oct-5-en-1-yl acetate
| Traditional Name |
(5Z)-oct-5-en-1-yl acetate
| CAS Registry Number |
71978-00-2
| SMILES |
CCC=C/CCCCOC(C)=O
| InChI Identifier |
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h4-5H,3,6-9H2,1-2H3/b5-4-
| InChI Key |
NBYQSRDPBAVRDT-PLNGDYQASA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Lipids and lipid-like moleclies
| Sub Class |
Fatty Acyls
| Direct Parent |
Fatty alcohol esters
| Alternative Parents |
Carboxylic acid esters
Monocarboxylic acids and derivatives
Organic oxides
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Fatty alcohol ester
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Cell signaling
Fuel and energy storage
Fuel or energy source
Membrane integrity/stability
| 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 Solubility0.1 mg/mLALOGPS
logP3.66ALOGPS
logP2.66ChemAxon
logS-3.2ALOGPS
pKa (Strongest Basic)-7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity50.81 m3·mol-1ChemAxon
Polarizability20.6 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
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 |
FDB000423
| KNApSAcK ID |
Not Available
| Chemspider ID |
4509668
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29358
| Metagene Link |
HMDB29358
| METLIN ID |
Not Available
| PubChem Compound |
5352838
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: eFT508
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: 23554310