Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:10:36 UTC |
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Update date | 2019-11-26 03:08:11 UTC |
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Primary ID | FDB013253 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Menthanol |
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Description | Menthanol belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Based on a literature review a small amount of articles have been published on Menthanol. |
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CAS Number | 498-81-7 |
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Structure | |
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Synonyms | Synonym | Source |
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1-(1-Hydroxy-1-methylethyl)-4-methylcyclohexane | HMDB | 1-Methyl-4-isopropylcyclohexane-8-ol | HMDB | 2-(4-Methylcyclohexyl)-2-propanol | HMDB | a,a,4-Trimethylcyclohexanemethanol, 9ci | HMDB | alpha -Dihydroterpineol | HMDB | alpha,alpha,4-Trimethyl-cis-cyclohexanemethanol | HMDB | alpha,alpha,4-Trimethyl-cyclohexanemethanol | HMDB | alpha,alpha,4-Trimethyl-trans-cyclohexanemethanol | HMDB | alpha,alpha,4-Trimethylcyclohexanemethanol | HMDB | cis-alpha,alpha,4-Trimethylcyclohexanemethanol | HMDB | dihydro-a-Terpineol | HMDB | dihydro-alpha -Terpineol | HMDB | dihydro-alpha-Terpineol | HMDB | dihydro-Terpineol | HMDB | trans-(1)-alpha,alpha,4-Trimethylcyclohexanemethanol | HMDB | trans-2-(4-Methylcyclohexyl)isopropanol | HMDB | trans-alpha,alpha,4-Trimethylcyclohexanemethanol | HMDB | trans-P-Menthan-8-ol | HMDB | 1-Methyl-4-isopropylcyclohexan-8-ol | MeSH, HMDB | α-dihydroterpineol | biospider | a,a,4-Trimethylcyclohexanemethanol, 9CI | db_source | Alpha,alpha,4-trimethylcyclohexanemethanol | biospider | Cyclohexanemethanol, alpha,alpha,4-trimethyl- | biospider | Cyclohexanemethanol, alpha,alpha,4-trimethyl-, cis- | biospider | Cyclohexanemethanol, alpha,alpha,4-trimethyl-, trans- | biospider | Dihydro-α-terpineol | biospider | Dihydro-a-terpineol | db_source | Dihydro-alpha-terpineol | biospider | Menthanol | db_source | Terpineol, dihydro- | biospider | trans-p-Menthan-8-ol | biospider |
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Predicted Properties | |
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Chemical Formula | C10H20O |
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IUPAC name | 2-(4-methylcyclohexyl)propan-2-ol |
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InChI Identifier | InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3 |
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InChI Key | UODXCYZDMHPIJE-UHFFFAOYSA-N |
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Isomeric SMILES | CC1CCC(CC1)C(C)(C)O |
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Average Molecular Weight | 156.2652 |
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Monoisotopic Molecular Weight | 156.151415262 |
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Classification |
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Description | Belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. |
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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 | Menthane monoterpenoids |
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Alternative Parents | |
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Substituents | - P-menthane monoterpenoid
- Monocyclic monoterpenoid
- Tertiary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic 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 76.86%; H 12.90%; O 10.24% | 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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Predicted GC-MS | Menthanol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a4i-9200000000-0328cf5b09222f710cb3 | Spectrum | Predicted GC-MS | Menthanol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-01qi-9620000000-55b1d5a76f67f5051e49 | Spectrum | Predicted GC-MS | Menthanol, 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-1900000000-1280c251635b19021ed3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052k-9600000000-77cee19a7027720fcea3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a59-9200000000-d9945a1290f2ac0d3129 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0900000000-f6069eab4add4d4fdeb4 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4j-4900000000-7f7afd1f9b3a65c01617 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9400000000-01d7abacc51972b908d8 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-052b-9400000000-8ca5e8adfdf8a9afa671 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-007w-9200000000-0b60d461d0a674c803b4 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05mo-9000000000-66eb53d5f1976c251c95 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0900000000-f6034c6a8245c68a37ac | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-0900000000-e2ccc681fac58db6d602 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-4900000000-21c08d7b84fbe1086325 | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 9926 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 10353 |
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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 | HMDB34717 |
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CRC / DFC (Dictionary of Food Compounds) ID | HQF87-I:HQF87-I |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | C00010899 |
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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 | rw1006311 |
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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.
| pine |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| terpenic |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| lime |
- 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 | — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
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