Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:09:57 UTC |
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Update date | 2019-11-26 03:06:02 UTC |
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Primary ID | FDB012040 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Violet-leaf aldehyde |
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Description | Violet-leaf aldehyde, also known as (2E,6Z)-2,6-nonadienal or nona-2,6-dienal, belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, violet-leaf aldehyde is considered to be a fatty aldehyde lipid molecule. Violet-leaf aldehyde is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Violet-leaf aldehyde is a cucumber, dry, and fatty tasting compound. Violet-leaf aldehyde has been detected, but not quantified in, several different foods, such as green vegetables, tea, mollusks, cereals and cereal products, and muskmelons. This could make violet-leaf aldehyde a potential biomarker for the consumption of these foods. |
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CAS Number | 557-48-2 |
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Structure | |
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Synonyms | Synonym | Source |
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(2E,6Z)-2,6-Nonadienal | ChEBI | (e,Z)-2,6-Nonadienal | ChEBI | Cucumber aldehyde | ChEBI | Nona-2,6-dienal | ChEBI | trans-2,cis-6-Nonadienal | ChEBI | Violet leaf aldehyde | ChEBI | (2E,6Z)-Nona-2,6-dien-1-al | HMDB | (2E,6Z)-Nona-2,6-dienal | HMDB | (2E,6Z)-Nonadienal | HMDB | (e)-2,(Z)-6-Nonadienal | HMDB | (e,Z)-Nona-2,6-dienal | HMDB | 2,6-(e,Z)-Nonadienal | HMDB | 2-(trans)-6-(cis)-Nonadienal | HMDB | 2-trans-6-cis-Nonadien-1-al | HMDB | 2-trans-6-cis-Nonadienal | HMDB | FEMA 3377 | HMDB | Nona-2(e),6(Z)-dienal | HMDB | Nona-2,6(e,Z)-dienal | HMDB | Nona-2-trans-6-cis-dienal | HMDB | Nona-2t,6C-dienal | HMDB | Nona-trans-2,cis-6-dienal | HMDB | Nonadien-(2t.6c)-al-(1) | HMDB | Nonadien-2(trans)-6-(cis)-al | HMDB | T2,C6-Nonadienal | HMDB | trans,cis-2,6-Nonadien-1-al | HMDB | trans,cis-2,6-Nonadienal | HMDB | trans-2-cis-6-Nonadienal | HMDB | Z)-2,6-Nonadienal | HMDB | 2,6-Nonadienal | MeSH | 2,6-Nonadienal, (e,e)-isomer | MeSH | 2,6-Nonadienal, (e,Z)-isomer | MeSH | (2E,6Z)-nona-2,6-dienal | biospider | (E,Z)-2,6-nonadienal | biospider | (E,Z)-nona-2,6-dienal | biospider | (E)-2,(Z)-6-nonadienal | biospider | 2,6-(E,Z)-Nonadienal | biospider | 2,6-Nonadienal, (2E,6Z)- | biospider | 2,6-Nonadienal, (E,Z)- | biospider | 2,6-Nonadienal, trans,cis- | biospider | nona-2-trans-6-cis-dienal | biospider | Nona-2,6(E,Z)-dienal | biospider | Nona-2(E),6(Z)-dienal | biospider | nona-2t,6c-dienal | biospider | nona-trans-2,cis-6-dienal | biospider | nonadien-(2t.6c)-al-(1) | biospider | t2,c6-nonadienal | biospider | Violet-leaf aldehyde | db_source | Z)-2,6-nonadienal | biospider |
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Predicted Properties | |
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Chemical Formula | C9H14O |
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IUPAC name | (2E,6Z)-nona-2,6-dienal |
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InChI Identifier | InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+ |
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InChI Key | HZYHMHHBBBSGHB-ODYTWBPASA-N |
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Isomeric SMILES | CC\C=C/CC\C=C\C=O |
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Average Molecular Weight | 138.2069 |
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Monoisotopic Molecular Weight | 138.10446507 |
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Classification |
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Description | belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbonyl compounds |
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Direct Parent | Medium-chain aldehydes |
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Alternative Parents | |
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Substituents | - Medium-chain aldehyde
- Enal
- Alpha,beta-unsaturated aldehyde
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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Role | Industrial application: Biological role: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 78.21%; H 10.21%; O 11.58% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Bp11 94-98° | DFC |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | d 0.87 | DFC |
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Refractive Index | n20D 1.4460 | DFC |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-014i-9100000000-11eafaf48649fda71ba5 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-2900000000-5b68984796a69b656625 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0079-9500000000-a06b0ff5cc696d2ad5c3 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ktf-9000000000-fcce0a3da84424696cbc | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-fd081e72d328181ddf67 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-1900000000-4a10e15a630365ec4599 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9200000000-88b1eef5d11911d77490 | JSpectraViewer | MS | Mass Spectrum (Electron Ionization) | splash10-0006-9000000000-92abc75329c237927996 | JSpectraViewer | MoNA |
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External Links |
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ChemSpider ID | 558840 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C08499 |
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Pubchem Compound ID | 643731 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB33857 |
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CRC / DFC (Dictionary of Food Compounds) ID | CVW00-Q:HCS17-G |
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EAFUS ID | 3703 |
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Dr. Duke ID | TRANS,CIS-2,6-NONADIENAL|NONA-TRANS-2-CIS-6-DIENAL |
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BIGG ID | Not Available |
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KNApSAcK ID | C00001317 |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | 557-48-2 |
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GoodScent ID | rw1031611 |
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SuperScent ID | 643731 |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Flavor | Citations |
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cucumber |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
| green |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| violet |
- Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| fatty |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| dry |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| leaf |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004). — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
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