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CHEBI:139062 - 3-ethyl-2,7-dimethyloctane

ChEBI IDCHEBI:139062
ChEBI Name3-ethyl-2,7-dimethyloctane
Stars
DefinitionAn alkane that is octane substituted by an ethyl group at position 3 and by methyl groups at positions 2 and 7. It is a urinary sex pheromone found in male mice.
Last Modified28 February 2024
Submittermwilliams
DownloadsMolfile
FormulaC12H26
Net Charge0
Average Mass170.340
Monoisotopic Mass170.20345
SMILESCCC(CCCC(C)C)C(C)C
InChIInChI=1S/C12H26/c1-6-12(11(4)5)9-7-8-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyXEMFRSYZKNPRTA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) urine (BTO:0001419) PubMed (12571373)
Roles Classification
Biological Roles:
pheromone  A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
3-ethyl-2,7-dimethyloctane (CHEBI:139062) has role mouse metabolite (CHEBI:75771)
3-ethyl-2,7-dimethyloctane (CHEBI:139062) has role pheromone (CHEBI:26013)
3-ethyl-2,7-dimethyloctane (CHEBI:139062) is a alkane (CHEBI:18310)
3-ethyl-2,7-dimethyloctane (CHEBI:139062) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
3-ethyl-2,7-dimethyloctane
Synonym  Source
3-ethyl-2,7-dimethyl octaneNIST Chemistry WebBook
Manual XrefsDatabases
467989ChemSpider
Registry NumbersSources
CAS:62183-55-5NIST Chemistry WebBook
Citations