3,7-Dimethylocta-2,6-Dienal

HCID 8843CAS 5392-40-5

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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound

Zugehörige Reaktionen

95

Verknüpfte Notizen

Wird geladen…