Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 19:37:12 UTC |
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Update Date | 2022-03-07 02:54:13 UTC |
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HMDB ID | HMDB0034717 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common 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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Structure | 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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Synonyms | Value | 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 |
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Chemical Formula | C10H20O |
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Average Molecular Weight | 156.2652 |
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Monoisotopic Molecular Weight | 156.151415262 |
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IUPAC Name | 2-(4-methylcyclohexyl)propan-2-ol |
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Traditional Name | 2-(4-methylcyclohexyl)propan-2-ol |
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CAS Registry Number | 498-81-7 |
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SMILES | CC1CCC(CC1)C(C)(C)O |
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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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Chemical Taxonomy |
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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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Physiological effect | |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Menthanol GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-9200000000-0328cf5b09222f710cb3 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Menthanol GC-MS (1 TMS) - 70eV, Positive | splash10-01qi-9620000000-55b1d5a76f67f5051e49 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Menthanol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 10V, Positive-QTOF | splash10-052r-1900000000-1280c251635b19021ed3 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 20V, Positive-QTOF | splash10-052k-9600000000-77cee19a7027720fcea3 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 40V, Positive-QTOF | splash10-0a59-9200000000-d9945a1290f2ac0d3129 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 10V, Negative-QTOF | splash10-0a4i-0900000000-f6069eab4add4d4fdeb4 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 20V, Negative-QTOF | splash10-0a4j-4900000000-7f7afd1f9b3a65c01617 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 40V, Negative-QTOF | splash10-0002-9400000000-01d7abacc51972b908d8 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 10V, Positive-QTOF | splash10-052b-9400000000-8ca5e8adfdf8a9afa671 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 20V, Positive-QTOF | splash10-007w-9200000000-0b60d461d0a674c803b4 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 40V, Positive-QTOF | splash10-05mo-9000000000-66eb53d5f1976c251c95 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 10V, Negative-QTOF | splash10-0a4i-0900000000-f6034c6a8245c68a37ac | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 20V, Negative-QTOF | splash10-0a4i-0900000000-e2ccc681fac58db6d602 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Menthanol 40V, Negative-QTOF | splash10-0a4i-4900000000-21c08d7b84fbe1086325 | 2021-09-22 | Wishart Lab | View Spectrum |
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General References | - Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
- Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
- Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
- Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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