Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:15:43 UTC |
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Update date | 2018-05-29 01:51:23 UTC |
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Primary ID | FDB021460 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Dihydrogeranylacetone |
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Description | 6,10-Dimethylundec-9-en-2-one, also known as 6,10-dimethylundec-9-en-2-one or 6,10-dimethylundec-9-en-2-one, belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. 6,10-Dimethylundec-9-en-2-one is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). |
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CAS Number | 4433-36-7 |
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Structure | |
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Synonyms | Synonym | Source |
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3,4,5,6-Tetrahydropseudoionone | HMDB | 6,10-Dimethyl-9-undecen-2-one | HMDB | 6,10-Dimethyl-undecen-2-one | HMDB | 6,10-Dimethylundecen-2-one | HMDB | Citronellylacetone | HMDB | FEMA 3059 | HMDB | Tetrahydro-pseudo-ionone | HMDB | Tetrahydropseudoionone | HMDB | 6,10-Dimethylundec-9-en-2-one | HMDB | 9-Undecen-2-one, 6,10-dimethyl- | biospider | Dihydrogeranylacetone | db_source | Undecen-2-one, 6,10-dimethyl- | biospider |
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Predicted Properties | |
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Chemical Formula | C13H24O |
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IUPAC name | 6,10-dimethylundec-9-en-2-one |
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InChI Identifier | InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,12H,5-6,8-10H2,1-4H3 |
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InChI Key | LGVYUZVANMHKHV-UHFFFAOYSA-N |
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Isomeric SMILES | CC(CCCC(C)=O)CCC=C(C)C |
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Average Molecular Weight | 196.3291 |
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Monoisotopic Molecular Weight | 196.18271539 |
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Classification |
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Description | belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Monoterpenoids |
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Direct Parent | Acyclic monoterpenoids |
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Alternative Parents | |
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Substituents | - Acyclic monoterpenoid
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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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 79.53%; H 12.32%; O 8.15% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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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 | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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External Links |
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ChemSpider ID | 92676 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 102604 |
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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 | HMDB41490 |
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CRC / DFC (Dictionary of Food Compounds) ID | NXN52-T:NXN52-T |
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EAFUS ID | 3637 |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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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 | Not Available |
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GoodScent ID | rw1385091 |
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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 | 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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sweet |
- 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.
| balsam |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| rose |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| woody |
- 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 | |
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