Citral

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Systematic / IUPAC Name: Citral

ID: Reference6586

Other Names: α-Citral;
β-Geranial;
(E)-Citral;
(E)-Geranial;
(E)-Neral ; more

Formula: C10H16O

Class: Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics Industrial Chemicals

Spectral Data

Citral mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 978
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/25/2017 12:04:32 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChI Key WTEVQBCEXWBHNA-JXMROGBWSA-N
Canonical SMILES CC(=CCCC(=CC=O)C)C
CAS 5392405
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Other Names α-Citral;
β-Geranial;
(E)-Citral;
(E)-Geranial;
(E)-Neral;
cis-,trans-Citral;
trans-Citral;
Citral a;
Citral-b;
Genanial;
Geranal;
Geranaldehyde;
Geranialdehyde;
Lemarome n;
Lemonal;
Lemsyn GB;
(E)-3,7-Dimethyl-2,6-octadienal;
(E)-3,7-Dimethylocta-2,6-dienal;
(2E)-3,7-Dimethylocta-2,6-dienal;
trans-3,7-Dimethyl-2,6-octadienal;
2,6-Dimethyloctadien-2,6-al-8;
2,6-Octadienal, 3,7-dimethyl-, (E)-;
2,6-Octadienal, 3,7-dimethyl-, (2E)-;
3,7-Dimethyl-trans-2,6-octadienal;
3,7-Dimethyl-1,2,6-octadienal;
3,7-Dimethylocta-2,6-dienal

In Other Databases

Wikipedia Citral
ChemIDPlus 000141275; 005392405
ChEBI CHEBI:16980
HMDb HMDB35078; HMDB35092
ChEMBL CHEMBL1080997
KEGG C01499
PubChem 638011
ChemSpider 553578