Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:06:02 UTC |
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Update date | 2019-11-26 02:59:44 UTC |
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Primary ID | FDB004002 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | trans-p-Mentha-2,8-dien-1-ol |
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Description | Trans-p-mentha-2,8-dien-1-ol is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids 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. Trans-p-mentha-2,8-dien-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Trans-p-mentha-2,8-dien-1-ol is a fresh and minty tasting compound found in spearmint and wild celery, which makes trans-p-mentha-2,8-dien-1-ol a potential biomarker for the consumption of these food products. |
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CAS Number | 7212-40-0 |
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Structure | |
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Synonyms | Synonym | Source |
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(E)-p-2,8-Menthadien-1-ol | biospider | (E)-p-menth-2,8-dien-1-ol | biospider | (E)-p-mentha-2,8-dien-1-ol | biospider | 1R,4R-p-Mentha-2,8-dien-1-ol | biospider | 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans- | biospider | 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl), cis | biospider | cis-2,8-Menthadien-1-ol | biospider | cis-para-Mentha-2,8-dien-1-ol | biospider | E-p-Mentha-2,8-dienol | biospider | Mentha-2,8-dien-1-ol, trans-para | biospider | menthadien-1-ol, (E)-p-2,8 | biospider | p-mentha-trans-2,8-dien-1-ol | biospider | trans-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol | biospider | trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol | biospider | trans-2,8-Menthadien-1-ol | biospider | trans-2,8-p-mentha-dien-1-ol | biospider | trans-Mentha-2,8-dien-1-ol | biospider | Trans-p-2,8-Menthadien-1-ol | biospider | trans-p-Menth-2,8-dien-1-ol | biospider | trans-p-mentha-2,8-diene-1-ol | biospider | trans-para-mentha-2,8-dien-1-ol | biospider |
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Predicted Properties | |
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Chemical Formula | C10H16O |
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IUPAC name | (1S,4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol |
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InChI Identifier | InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m1/s1 |
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InChI Key | MKPMHJQMNACGDI-NXEZZACHSA-N |
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Isomeric SMILES | [H][C@@]1(CC[C@](C)(O)C=C1)C(C)=C |
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Average Molecular Weight | 152.237 |
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Monoisotopic Molecular Weight | 152.120115135 |
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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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Ontology | No ontology term |
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Physico-Chemical Properties |
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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 | Not Available | |
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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 | Not Available |
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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 | splash10-0f79-0900000000-6e5429b970b50045594f | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f79-5900000000-73d286d3392ad6eec010 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0gb9-9200000000-55c6fe5f6141ae369840 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-a931fddf6f76ffb52f18 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-e7155fded3abd51b6ea0 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0k9l-5900000000-f8457f95373cdd01f3e0 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0gvy-8900000000-f3cf9e82f99864ba7f6c | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9100000000-6bfd27d51b3a7548430c | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00or-9000000000-de6fd7a107a9c9d96536 | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-c373c9eea3cebf186f53 | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0900000000-e859dd2910ac5fc9108a | 2021-10-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0159-2900000000-778342dcaabb92e1dc2e | 2021-10-21 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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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 | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | TRANS-P-MENTHA-2,8-DIEN-1-OL|P-MENTHA-TRANS-2-8-DIEN-1-OL |
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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 | 7212-40-0 |
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GoodScent ID | rw1382941 |
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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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fresh |
- 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.
| mint |
- 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
| minty |
- 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 | — 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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