Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:10:46 UTC |
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Update date | 2019-11-26 03:08:33 UTC |
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Primary ID | FDB013522 |
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Secondary Accession Numbers | |
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Chemical Information |
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FooDB Name | Fenchol |
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Description | Fenchol, also known as endo-fenchol or fenchyl alcohol, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Based on a literature review a small amount of articles have been published on Fenchol. |
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CAS Number | 1632-73-1 |
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Structure | |
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Synonyms | Synonym | Source |
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1,3,3-Trimethyl-2-norbornanol | MeSH | endo-Fenchol | MeSH | Fenchol, ((endo)-(+-))-isomer | MeSH | Fenchol, ((exo)-(+-))-isomer | MeSH | Fenchol, (1R-endo)-isomer | MeSH | Fenchol, (1S-endo)-isomer | MeSH | Fenchol, (1S-exo)-isomer | MeSH | Fenchol, (endo)-isomer | MeSH | Fenchol, (exo)-isomer | MeSH | Fenchyl alcohol | MeSH | 1,3,3-trimethylbicyclo(2.2.1)Heptan-2-ol | HMDB | 2-Fenchanol | HMDB | 3,3-Dimethyl-8,9-dinorbornan-2-ol | HMDB | FEMA 2480 | HMDB | Fenchylic alcohol | HMDB | Fenchol | MeSH | 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol | biospider | 2-Norbornanol, 1,3,3-trimethyl- | biospider |
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Predicted Properties | |
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Chemical Formula | C10H18O |
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IUPAC name | 1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol |
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InChI Identifier | InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3 |
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InChI Key | IAIHUHQCLTYTSF-UHFFFAOYSA-N |
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Isomeric SMILES | CC1(C)C2CCC(C)(C2)C1O |
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Average Molecular Weight | 154.2493 |
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Monoisotopic Molecular Weight | 154.135765198 |
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Classification |
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Description | Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
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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 | Bicyclic monoterpenoids |
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Alternative Parents | |
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Substituents | - Fenchane monoterpenoid
- Bicyclic monoterpenoid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic 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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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 77.87%; H 11.76%; O 10.37% | 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 | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-03610ff0a989a69cf478 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9100000000-2391ca66f3cd432bb0a2 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9200000000-5ec7cae22ebff3662328 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-6704d50bcfa35df1f886 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9100000000-97c1aaad48d62ad0ab30 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9200000000-de1f34c5e46838e35a67 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-03610ff0a989a69cf478 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9100000000-2391ca66f3cd432bb0a2 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9200000000-5ec7cae22ebff3662328 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-6704d50bcfa35df1f886 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9100000000-97c1aaad48d62ad0ab30 | Spectrum | GC-MS | (-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum | splash10-001i-9200000000-de1f34c5e46838e35a67 | Spectrum | Predicted GC-MS | (-)-alpha-Fenchol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-9400000000-5297f0b29688722df06c | Spectrum | Predicted GC-MS | (-)-alpha-Fenchol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-01x0-9520000000-7835ad73884f9d0dbde8 | Spectrum | Predicted GC-MS | (-)-alpha-Fenchol, 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 | splash10-052r-0900000000-ed507d1b1719e12edbc1 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052r-1900000000-0fe0191c4bde6f56fa8c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05aa-9500000000-f103d6927c834ced2778 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-d7f7c5b94ca90ef60000 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-4ebc0294913d58ac18f5 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0fe0-2900000000-b92c9da7506b101aadc1 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-d2363ae8d4dbdcccda80 | 2021-09-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-d2363ae8d4dbdcccda80 | 2021-09-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0900000000-459bafe52d5b103e88a6 | 2021-09-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-3900000000-4094f7230adb483cf7e5 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a5c-6900000000-aabed757c552780da472 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-053i-9600000000-6fa6ff11a1ac49887bb3 | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 14665 |
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ChEMBL ID | CHEMBL1907996 |
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KEGG Compound ID | C02344 |
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Pubchem Compound ID | 15406 |
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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 | HMDB34932 |
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CRC / DFC (Dictionary of Food Compounds) ID | JDX31-I:JDX31-I |
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EAFUS ID | 1365 |
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Dr. Duke ID | FENCHOL|FENCHYL-ALCOHOL |
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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 | 1632-73-1 |
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GoodScent ID | rw1011531 |
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SuperScent ID | Not Available |
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Wikipedia ID | Fenchol |
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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 |
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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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camphor |
- 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.
| borneol |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| pine |
- 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.
| dry |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| sweet |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| lemon |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| bitter |
- Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
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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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