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CHEBI:48697 - α-campholenaldehyde

ChEBI IDCHEBI:48697
ChEBI Nameα-campholenaldehyde
Stars
ASCII Namealpha-campholenaldehyde
DefinitionAn aldehyde that is acetaldehyde in which one of the methyl hydrogens is substituted by a 2,2,3-trimethylcyclopent-3-en-1-yl group. It is a constituent of the essential oil extracted from Angasomyrtus salina.
Last Modified3 March 2014
Submitterhcourrier
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILES[H]C(=O)CC1CC=C(C)C1(C)C
InChIInChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3
InChIKeyOGCGGWYLHSJRFY-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
α-campholenaldehyde (CHEBI:48697) has functional parent acetaldehyde (CHEBI:15343)
α-campholenaldehyde (CHEBI:48697) has parent hydride cyclopentene (CHEBI:49155)
α-campholenaldehyde (CHEBI:48697) has role fragrance (CHEBI:48318)
α-campholenaldehyde (CHEBI:48697) has role plant metabolite (CHEBI:76924)
α-campholenaldehyde (CHEBI:48697) is a monocyclic compound (CHEBI:33661)
α-campholenaldehyde (CHEBI:48697) is a α-CH2-containing aldehyde (CHEBI:73359)
Incoming Relation(s)
2-(2,2,3-trimethylcyclopent-3-enyl)acrylaldehyde (CHEBI:48713) has functional parent α-campholenaldehyde (CHEBI:48697)
(R)-α-campholenaldehyde (CHEBI:49150) is a α-campholenaldehyde (CHEBI:48697)
IUPAC Name 
(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde
Synonyms  Source
2,2,3-Trimethylcyclopent-3-en-1-yl acetaldehydeChemIDplus
alpha-CampholenaldehydeChemIDplus
2,2,3-trimethyl-3-cyclopentene-1-acetaldehydeChemIDplus
campholenic aldehydeChEBI
α-campholenic aldehydeChEBI
2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehydeChEBI
Manual XrefsDatabases
WO02090261Patent
CN101541728Patent
US2010004489Patent
WO2008017184Patent
CN1660746Patent
Registry NumbersSources
Reaxys:1859709Reaxys
CAS:91819-58-8ChemIDplus
Citations