Grundinformationen
- Standard-SMILES
CC(C)=CCCC(C)=CC=O- InChIKey
WTEVQBCEXWBHNA-UHFFFAOYSA-N- Summenformel
- C10H16O
- Durchschnittliche Molmasse
- 152,23 g/mol
- Monoisotopische Masse
- 152,12011513
Überblick
Citral is an enal that consists of octa-2,6-dienal bearing methyl substituents at positions 3 and 7. A mixture of the two geometric isomers geranial and neral, it is the major constituent (75-85%) of oil of lemon grass, the volatile oil of Cymbopogon citratus, or of C. flexuosus. It also occurs in oils of verbena, lemon, and orange. It has a role as an insecticide, a metabolite, a flavouring agent, a fragrance and an EC 1.2.3.1 (aldehyde oxidase) inhibitor. It contains a geranial and a neral.
Namen und Bezeichner
- Bevorzugter Name
- 3,7-Dimethylocta-2,6-Dienal
- IUPAC
- 3,7-dimethylocta-2,6-dienal
Namen und Synonyme
RefChem:10661553,7-Dimethylocta-2,6-DienalLemarome nlime octadienalNSC 6170cis,trans-CitralSCHEMBL23074SCHEMBL954112orb1304483orb30257643,7-dimethyl-2,6-octandienalCHEMBL2297541
Weitere Namen anzeigen
3,7-dimethyl-octa-2,6-dienalCitral (cis- and trans- mixture)3,7-dimethyl-2,6-octadien-1-al3,7-dimethyl-2,6-octadiene-1-alAKOS024306977Citral 1000 microg/mL in AcetonitrileDB-052426D0762
Datenbank-Bezeichner
- CAS
5392-40-5- PubChem CID
- 8843
- DTXSID
DTXSID6024836- ChEMBL
CHEMBL2297541- ChEBI
CHEBI:23316
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 171
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Zugehörige Reaktionen
95
Verknüpfte Notizen
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