Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:41 UTC |
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Update date | 2015-07-20 21:33:26 UTC |
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Primary ID | FDB000708 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Dihydroisophorol |
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Description | Dihydroisophorol, also known as homomenthol, belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. Dihydroisophorol is a cool, mentholic, and mint tasting compound. Based on a literature review very few articles have been published on Dihydroisophorol. |
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CAS Number | 116-02-9 |
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Structure | |
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Synonyms | Synonym | Source |
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3,3,5-Trimethyl-1-cyclohexanol | ChEBI | Homomenthol | ChEBI | 1-Methyl-3-dimethylcyclohexanol-5 | HMDB | 3,3,5-Trimethyl-(1R,5S)-rel-cyclohexanol | HMDB | 3,3,5-Trimethyl-cis-cyclohexanol | HMDB | 3,3,5-Trimethyl-cyclohexanol | HMDB | 3,3,5-Trimethyl-trans-cyclohexanol | HMDB | 3,3,5-Trimethylcyclohexanol (c,t) | HMDB | 3,3,5-Trimethylcyclohexanol,camp t | HMDB | 3,5,5-Trimethylcyclohexanol | HMDB | cis-3,3,5-Trimethylcyclohexanol | HMDB | Cyclonol | HMDB | dihydro-Isophorol | HMDB | FEMA 3962 | HMDB | TMC | HMDB | trans-3,3,5-Trimethylcyclohexanol | HMDB | trans-3,5,5-Trimethylcyclohexan-1-ol | HMDB | Trimethylcyclohexanol | HMDB | Dihydroisophorol | ChEBI | 3,3,5-Trimethylcyclohexanol, (cis)-isomer | MeSH | 3,3,5-Trimethylcyclohexanol, (trans)-isomer | MeSH | 3,3,5-Trimethylcyclohexanol,c&t | biospider | Cyclohexanol, 3,3,5-trimethyl- | biospider | Cyclohexanol, 3,3,5-trimethyl-, (1R,5S)-rel- | biospider | Cyclohexanol, 3,3,5-trimethyl-, cis- | biospider | Cyclohexanol, 3,3,5-trimethyl-, trans- | biospider | Isophorol, dihydro- | biospider |
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Predicted Properties | |
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Chemical Formula | C9H18O |
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IUPAC name | 3,3,5-trimethylcyclohexan-1-ol |
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InChI Identifier | InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3 |
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InChI Key | BRRVXFOKWJKTGG-UHFFFAOYSA-N |
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Isomeric SMILES | CC1CC(O)CC(C)(C)C1 |
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Average Molecular Weight | 142.2386 |
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Monoisotopic Molecular Weight | 142.135765198 |
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Classification |
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Description | Belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. |
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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 | Alcohols and polyols |
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Direct Parent | Cyclohexanols |
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Alternative Parents | |
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Substituents | - Cyclohexanol
- Cyclic alcohol
- Hydrocarbon derivative
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Biological location: Source: |
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Role | Industrial application: |
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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 | Solid | |
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Physical Description | Not Available | |
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Mass Composition | C 76.00%; H 12.75%; O 11.25% | 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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EI-MS/GC-MS | Type | Description | Splash Key | View |
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GC-MS | Dihydroisophorol, non-derivatized, GC-MS Spectrum | splash10-0a4i-9300000000-244f20d79cae6e7e51b3 | Spectrum | GC-MS | Dihydroisophorol, non-derivatized, GC-MS Spectrum | splash10-0a4i-9300000000-244f20d79cae6e7e51b3 | Spectrum | Predicted GC-MS | Dihydroisophorol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-005a-9300000000-d7f74ae639a6d7f7fe0d | Spectrum | Predicted GC-MS | Dihydroisophorol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-006t-9700000000-98677d3381cb7d575de1 | Spectrum | Predicted GC-MS | Dihydroisophorol, 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 | splash10-004l-0900000000-1b18235f590ccbf61da2 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004l-3900000000-9026fc236779085d8ccf | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05nb-9200000000-8c94db27037d76dff113 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-524e1240924affa73e1f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-ea27540a52f91b77ca9f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-002g-9700000000-f11d1ab2b3606dbc2527 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-052f-9400000000-a2c3605f4c1480924a6d | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9200000000-2d34cfe7f27ebee54314 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0apl-9000000000-6b72ba755ce195c7f0a9 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-31a4c0b614cfbc7c3156 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-3962cd1a6f44a7191826 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-0900000000-1bd0f7af6c59ba043f8e | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 7997 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 8298 |
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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 | HMDB29557 |
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CRC / DFC (Dictionary of Food Compounds) ID | BFS88-J:BFS88-J |
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EAFUS ID | 3743 |
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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 | rw1023671 |
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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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mint |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| cool |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| mentholic |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| musty |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| spicy |
- 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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