CHEBI:132331 - citral dimethyl acetal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name citral dimethyl acetal
ChEBI ID CHEBI:132331
Definition A monoterpenoid that is the acetal obtained by formal condensation of citral with methanol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sabrina Toro
Supplier Information
Download Molfile XML SDF
Formula C12H22O2
Net Charge 0
Average Mass 198.302
Monoisotopic Mass 198.16198
InChI InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3
InChIKey ZSKAJFSSXURRGL-UHFFFAOYSA-N
SMILES O(C(C=C(CCC=C(C)C)C)OC)C
ChEBI Ontology
Outgoing citral dimethyl acetal (CHEBI:132331) has functional parent citral (CHEBI:23316)
citral dimethyl acetal (CHEBI:132331) is a acetal (CHEBI:59769)
citral dimethyl acetal (CHEBI:132331) is a monoterpenoid (CHEBI:25409)
citral dimethyl acetal (CHEBI:132331) is a olefinic compound (CHEBI:78840)
IUPAC Name
1,1-dimethoxy-3,7-dimethylocta-2,6-diene
Synonyms Sources
1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene ChemIDplus
3,7-dimethyl-2,6-octadienal dimethyl acetal SUBMITTER
Citral dimethylacetal ChemIDplus
Manual Xrefs Databases
EP1061907 Patent
WO2009063807 Patent
WO2009063931 Patent
WO9945912 Patent
View more database links
Registry Numbers Types Sources
1706336 Reaxys Registry Number Reaxys
7549-37-3 CAS Registry Number ChemIDplus
7549-37-3 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
16185885 PubMed citation Europe PMC
25934692 PubMed citation Europe PMC
8206439 PubMed citation Europe PMC
Last Modified
18 October 2016