| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:16:45 UTC |
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| Update Date | 2016-11-09 01:09:47 UTC |
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| Accession Number | CHEM006696 |
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| Identification |
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| Common Name | BETA-METHYLPHENETHYL ALCOHOL |
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| Class | Small Molecule |
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| Description | A member of the class tetralins that is 1,2,3,4-tetrahydronaphthalene which is substituted at position 6 by a hydroxy group. |
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| Contaminant Sources | - EAFUS Chemicals
- FooDB Chemicals
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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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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| 2-Hydroxy-5,6,7,8-tetrahydronaphthalene | ChEBI | | 5,6,7,8-Tetrahydro-2-hydroxynaphthalene | ChEBI | | 5,6,7,8-Tetrahydro-2-naphthalenol | ChEBI | | 5,6,7,8-Tetrahydro-beta-naphthol | ChEBI | | 6-Hydroxy-1,2,3,4-tetrahydronaphthalene | ChEBI | | 6-Hydroxytetralin | ChEBI | | 6-Tetralinol | ChEBI | | 5,6,7,8-Tetrahydro-b-naphthol | Generator | | 5,6,7,8-Tetrahydro-β-naphthol | Generator | | 5,6,7,8-tetrahydro-2-Naphthol | MeSH | | 5,6,7,8-Tetrahydronaphth-2-ol | MeSH |
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| Chemical Formula | C10H12O |
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| Average Molecular Mass | 148.205 g/mol |
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| Monoisotopic Mass | 148.089 g/mol |
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| CAS Registry Number | 1123-85-9 |
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| IUPAC Name | 5,6,7,8-tetrahydronaphthalen-2-ol |
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| Traditional Name | tetralol |
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| SMILES | OC1=CC=C2CCCCC2=C1 |
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| InChI Identifier | InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2 |
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| InChI Key | UMKXSOXZAXIOPJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Tetralins |
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| Sub Class | Not Available |
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| Direct Parent | Tetralins |
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| Alternative Parents | |
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| Substituents | - Tetralin
- 1-hydroxy-2-unsubstituted benzenoid
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic 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 LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0900000000-60953bc619a276845ce0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-2900000000-0f628f1db56b9d419568 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0zfu-9600000000-c86e395a7c4094f37c8f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0900000000-1d91664bf24fe15d90cd | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0900000000-1f443899415a5ceb2525 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-015a-1900000000-8764cfc994a51b0e779b | 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 | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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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 | 34448 |
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| PubChem Compound ID | 14305 |
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| Kegg Compound ID | C14309 |
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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 | Not Available |
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