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