Record Information
Version1.0
Creation date2010-04-08 22:08:02 UTC
Update date2018-05-28 23:18:15 UTC
Primary IDFDB008345
Secondary Accession Numbers
  • FDB008346
Chemical Information
FooDB Name2-Methyloctanal
DescriptionIt is used as a food additive .
CAS Number7786-29-0
Structure
Thumb
Synonyms
SynonymSource
2-Methyloctanaldehydebiospider
alpha-Methyloctanalbiospider
FEMA 2727db_source
Methyl hexyl acetaldehydebiospider
Methylhexylacetaldehydebiospider
Octanal, 2-methyl-biospider
Predicted PropertiesNot Available
Chemical FormulaC9H18O
IUPAC name
InChI IdentifierInChI=1S/C9H18O/c1-3-4-5-6-7-9(2)8-10/h8-9H,3-7H2,1-2H3
InChI KeyZKPFRIDJMMOODR-UHFFFAOYSA-N
Isomeric SMILESCCCCCCC(C)C=O
Average Molecular Weight142.2386
Monoisotopic Molecular Weight142.135765198
Classification
ClassificationNot classified
Ontology
Disposition

Biological location:

Source:

Role

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 76.00%; H 12.75%; O 11.25%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24583
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDDGT36-A:DGT36-A
EAFUS ID2421
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
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
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference