Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:10:00 UTC |
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Update date | 2020-09-17 15:31:11 UTC |
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Primary ID | FDB012137 |
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Secondary Accession Numbers | |
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Chemical Information |
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FooDB Name | Lauric aldehyde |
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Description | Lauryl aldehyde also known as lauric aldehyde, belongs to the class of organic compounds known as medium-chain aldehydes, with a chain length between 6 and 12 carbon atoms. It has a dodecane backbone where the two hydrogens attached to a terminal carbon are replaced by an oxo group. Lauric aldehyde is a fatty aldehyde lipid molecule that is very hydrophobic, practically insoluble in water, and relatively neutral. It is a colorless to pale yellow clear liquid with an aldehydic, green, floral citrus, soapy, and waxy odor with a soapy, waxy, citrus, orange, mandarin flavor ( http://www.thegoodscentscompany.com/data/rw1000371.html#toorgano). Lauryl aldehyde is found in highest concentrations in corianders, sweet oranges, and lemons and in lower concentrations in mandarin orange (clementine, tangerine) and limes. Lauryl aldehyde has also been detected in fruits, mollusks, citrus, carrots, and wild celeries. This could make lauryl aldehyde a potential biomarker for the consumption of these foods. |
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CAS Number | 112-54-9 |
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Structure | |
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Synonyms | Synonym | Source |
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Dodecanaldehyde | ChEBI | Dodecyl aldehyde | ChEBI | Lauryl aldehyde | ChEBI | Laurylaldehyde | ChEBI | N-Dodecanal | ChEBI | N-Dodecyl aldehyde | ChEBI | N-Dodecylic aldehyde | ChEBI | N-Lauraldehyde | ChEBI | Dodecanal | Kegg | Lauraldehyde | Kegg | 1-Dodecanal | HMDB | 1-Dodecyl aldehyde | HMDB | Aldehyde C-12, lauric | HMDB | Aldehyde C12 | HMDB | C-12 Aldehyde, lauric | HMDB | C-12 Lauric aldehyde | HMDB | C12 Aldehyde | HMDB | Dodecylaldehyde | HMDB | Duodecylic aldehyde | HMDB | FEMA 2615 | HMDB | Lauraldehyde (8ci) | HMDB | Laurinaldehyde | HMDB | Lauric aldehyde | ChEBI | C-12 lauric aldehyde | biospider | C12 aldehyde | biospider | Lauraldehyde (8CI) | biospider | N-dodecanal | biospider | N-dodecyl aldehyde | biospider | N-dodecylic aldehyde | biospider | N-lauraldehyde | biospider |
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Predicted Properties | |
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Chemical Formula | C12H24O |
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IUPAC name | dodecanal |
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InChI Identifier | InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3 |
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InChI Key | HFJRKMMYBMWEAD-UHFFFAOYSA-N |
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Isomeric SMILES | CCCCCCCCCCCC=O |
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Average Molecular Weight | 184.3184 |
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Monoisotopic Molecular Weight | 184.18271539 |
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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
- Alpha-hydrogen 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: Source: Biological location: |
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Process | Naturally occurring process: |
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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 78.20%; H 13.12%; O 8.68% | DFC |
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Melting Point | Mp 44.5° | DFC |
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Boiling Point | Bp22 142-143° | 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 | d2525 0.83 | DFC |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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GC-MS | D-Decylaldehyde, non-derivatized, GC-MS Spectrum | splash10-052f-9000000000-7f7646c6c5dfd05b37e1 | Spectrum | GC-MS | D-Decylaldehyde, non-derivatized, GC-MS Spectrum | splash10-052f-9000000000-d6c6fff4af8756f0fdb0 | Spectrum | GC-MS | D-Decylaldehyde, non-derivatized, GC-MS Spectrum | splash10-052f-9000000000-7f7646c6c5dfd05b37e1 | Spectrum | GC-MS | D-Decylaldehyde, non-derivatized, GC-MS Spectrum | splash10-052f-9000000000-d6c6fff4af8756f0fdb0 | Spectrum | Predicted GC-MS | D-Decylaldehyde, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-02j2-9400000000-23ddc60a7786595fbe27 | Spectrum | Predicted GC-MS | D-Decylaldehyde, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-1900000000-3a1e54b428a0d9dc160d | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00kr-7900000000-21d3367239d672156d0a | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9000000000-01de305a88bcdbc6d737 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0900000000-0aa5f462182f3303a8d4 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-1900000000-1786629ada02cfeb0ebb | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9200000000-daa61ab687d5ad3dd831 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0900000000-ca9602a541fe011da51a | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0900000000-8f5abee14024dddc0420 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0aou-9200000000-71e6fe66b32315ce6bb9 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0aor-9000000000-4e5adeb42b91277d4ad0 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-5356224ef7dd7d573fc7 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9000000000-d9cd4ebe690de6616bf8 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 7902 |
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ChEMBL ID | CHEMBL2228373 |
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KEGG Compound ID | C02278 |
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Pubchem Compound ID | 8194 |
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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 | HMDB33933 |
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CRC / DFC (Dictionary of Food Compounds) ID | HDN52-V:HDN52-V |
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EAFUS ID | 1985 |
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Dr. Duke ID | 2-DODECANAL|DODECANAL|LAURALDEHYDE |
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BIGG ID | Not Available |
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KNApSAcK ID | C00030644 |
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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 | 112-54-9 |
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GoodScent ID | rw1000371 |
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SuperScent ID | Not Available |
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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 | Descriptor | ID | Definition | Reference |
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flavor | 48318 | A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. | DUKE | irritant | | | DUKE |
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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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lily |
- 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
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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
| citrus |
- 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.
| soapy |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| waxy |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| aldehydic |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| green |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| floral |
- 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).
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