| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-26 01:31:29 UTC |
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| Update Date | 2016-11-09 01:18:58 UTC |
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| Accession Number | CHEM029931 |
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| Identification |
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| Common Name | (S)-p-Mentha-1,8-dien-7-ol |
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| Class | Small Molecule |
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| Description | The (4S)-enantiomer of perillyl alcohol. |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (-)-Perillylalcohol | ChEBI | | (4S)-Perillyl alcohol | ChEBI | | 4-Isopropenylcyclohex-1-en-1-ylmethanol | ChEBI | | p-Mentha-1,8-dien-7-ol | ChEBI | | Perillyl alcohol | ChEBI | | Perilla alcohol, (S)-isomer | MeSH | | 4-Isopropenyl-cyclohex-1-ene-1-methanol | MeSH | | Perilla alcohol | MeSH | | Perilla alcohol, (R)-isomer | MeSH | | Dihydrocuminyl alcohol | MeSH | | Cyclohex-1-ene-1-methanol, 4(1-methylethenyl) | MeSH | | (S)-Perillyl alcohol | MeSH | | (-)-p-Mentha-1,8-dien-7-ol | MeSH |
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| Chemical Formula | C10H16O |
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| Average Molecular Mass | 152.237 g/mol |
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| Monoisotopic Mass | 152.120 g/mol |
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| CAS Registry Number | 536-59-4 |
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| IUPAC Name | [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol |
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| Traditional Name | (-)-perillyl alcohol |
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| SMILES | CC(=C)[C@H]1CCC(CO)=CC1 |
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| InChI Identifier | InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1 |
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| InChI Key | NDTYTMIUWGWIMO-SNVBAGLBSA-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
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- 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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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-007x-9400000000-0642824f11b9c7fd315d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udr-1900000000-2f012741782fc72aa3df | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-5900000000-849092ef4eeddd440687 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0gc0-9200000000-fd4b15fd9437d4b70409 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-20d0d9f448f90e31136f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0uk9-0900000000-a390120b9758e2ca2f5d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-4900000000-39d18f7a3231672157f5 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | C00010885 |
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| BiGG ID | Not Available |
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| BioCyc ID | CPD-261 |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | 10782 |
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| PubChem Compound ID | 369312 |
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| Kegg Compound ID | C02452 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | |
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