Record Information |
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Version | 1.0 |
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Creation date | 2020-04-21 17:22:39 UTC |
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Update date | 2020-09-17 15:41:32 UTC |
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Primary ID | FDB112409 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (S)-α-Terpineol |
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Description | (S)-alpha-Terpineol, also known as (L)-α-terpineol, 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 (S)-alpha-Terpineol is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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CAS Number | Not Available |
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Structure | |
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Synonyms | Synonym | Source |
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(-)-alpha-Terpineol | ChEBI | (1S)-alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol | ChEBI | (L)-alpha-Terpineol | ChEBI | (S)-(-)-p-Menth-1-en-8-ol | ChEBI | (S)-alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol | ChEBI | (-)-a-Terpineol | Generator | (-)-Α-terpineol | Generator | (1S)-a,a,4-Trimethyl-3-cyclohexene-1-methanol | Generator | (1S)-Α,α,4-trimethyl-3-cyclohexene-1-methanol | Generator | (L)-a-Terpineol | Generator | (L)-Α-terpineol | Generator | (S)-a,a,4-Trimethyl-3-cyclohexene-1-methanol | Generator | (S)-Α,α,4-trimethyl-3-cyclohexene-1-methanol | Generator | (S)-a-Terpineol | Generator | (S)-Α-terpineol | Generator | (S)-(-)-a-Terpineol | HMDB | (S)-(-)-Α-terpineol | HMDB | (S)-alpha-Terpineol | ChEBI | p-Menth-1-en-8-ol | MeSH | 1-alpha-Terpineol | MeSH | alpha-Terpineol, sodium salt | MeSH | dl-alpha-Terpineol | MeSH | D-alpha-Terpineol | MeSH | alpha-Terpineol | MeSH | (S)-(-)-Terpineol | PhytoBank | (S)-(-)-alpha-Terpineol | PhytoBank | l-alpha-Terpineol | PhytoBank | l-α-Terpineol | PhytoBank | alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol | PhytoBank | α,α,4-Trimethyl-3-cyclohexene-1-methanol | PhytoBank | (±)-alpha-Terpineol | PhytoBank | (±)-α-Terpineol | PhytoBank | 1,1-Dimethyl-1-(4-methylcyclohex-3-enyl)methanol | PhytoBank | 1-p-Menthen-8-ol | PhytoBank | 2-(4-Methyl-3-cyclohexenyl)-2-propanol | PhytoBank | 4-(2-Hydroxy-2-propyl)-1-methylcyclohexene | PhytoBank | 8-Hydroxy-p-menth-1-ene | PhytoBank | dl-α-Terpineol | PhytoBank | α-Terpineol | PhytoBank |
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Predicted Properties | |
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Chemical Formula | C10H18O |
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IUPAC name | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
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InChI Identifier | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 |
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InChI Key | WUOACPNHFRMFPN-SECBINFHSA-N |
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Isomeric SMILES | CC1=CC[C@H](CC1)C(C)(C)O |
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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 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 | |
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Ontology |
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Ontology | No ontology term |
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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 | 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 | Type | Description | Splash Key | View |
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Predicted GC-MS | (S)-α-Terpineol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, N/A (Annotated) | splash10-0540-5900000000-cda96dbf2d059d85a3c5 | 2019-05-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated) | splash10-001i-9000000000-ef81a719227e0ca1dabc | 2019-05-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated) | splash10-057l-9000000000-f219b3601875dbade6b9 | 2019-05-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-052r-1900000000-b06b43c06bcab8a8b200 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052k-9600000000-ecd246742e68c77c0135 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-100r-9200000000-7b4cf8729bfcea55f85c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-cdc8abcd2a8d0f849b01 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udj-4900000000-28a4ee193904ac2aac65 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000b-9400000000-24758c06f5cf794027aa | 2016-08-03 | View Spectrum |
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NMR | Type | Description | | View |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25.16 MHz, CDCl3, experimental) | | Spectrum | 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | | Spectrum |
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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 | 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 | Not Available |
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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 | Not Available |
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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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