Identification |
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YMDB ID | YMDB01404 |
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Name | 1-(4-hydroxyphenyl)ethanol |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | 1-(4-hydroxyphenyl)ethanol, also known as 4-(1-hydroxyethyl)phenol, belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. 1-(4-hydroxyphenyl)ethanol is an extremely weak basic (essentially neutral) compound (based on its pKa). 1-(4-hydroxyphenyl)ethanol exists in both E. coli (prokaryote) and yeast (eukaryote). |
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Structure | |
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Synonyms | - 1-(4'-Hydroxyphenyl)ethanol
- 4-Hydroxy-a-methyl-benzenemethanol
- 4-Hydroxy-a-methylbenzyl alcohol
- 4-Hydroxy-alpha-methyl-benzenemethanol
- 4-Hydroxy-alpha-methylbenzyl alcohol
- 4-Hydroxy-α-methyl-benzenemethanol
- 4-Hydroxy-α-methylbenzyl alcohol
- 4-(1-Hydroxyethyl)phenol
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CAS number | Not Available |
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Weight | Average: 138.1638 Monoisotopic: 138.068079564 |
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InChI Key | PMRFBLQVGJNGLU-UHFFFAOYSA-N |
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InChI | InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3 |
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IUPAC Name | 4-(1-hydroxyethyl)phenol |
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Traditional IUPAC Name | 1-(4'-hydroxyphenyl)ethanol |
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Chemical Formula | C8H10O2 |
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SMILES | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])(O[H])C([H])([H])[H] |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | 1-hydroxy-2-unsubstituted benzenoids |
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Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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Alternative Parents | |
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Substituents | - 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Aromatic alcohol
- Organooxygen compound
- Alcohol
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Not Available |
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Charge | 0 |
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Melting point | Not Available |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | Not Available | PhysProp | LogP | Not Available | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | |
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Organoleptic Properties | Not Available |
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SMPDB Pathways | Not Available |
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KEGG Pathways | Not Available |
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SMPDB Reactions | Not Available |
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KEGG Reactions | Not Available |
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Concentrations |
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Intracellular Concentrations | Not Available |
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Extracellular Concentrations | Not Available |
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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 | splash10-00di-9700000000-5686c69c8ec02e6a1e85 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00dr-0900000000-cf2dbac715329e7bb348 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00dr-2900000000-213f3e0b9989ca6d8f5f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0fk9-9500000000-1e43b18fba8e6a885766 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-1fd9135e5360394ceae2 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-2900000000-5d8fee376732c4f69f0d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9300000000-2e18a24e5b91a661e01e | JSpectraViewer |
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References |
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References: | - Patel, S., Shibamoto, T. (2002). "Effect of different strains of Saccharomyces cerevisiae on production of volatiles in Napa Gamay wine and Petite Sirah wine." J Agric Food Chem 50:5649-5653.12236692
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Synthesis Reference: | Not Available |
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External Links: | Resource | Link |
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CHEBI ID | 31042 | HMDB ID | Not Available | Pubchem Compound ID | 22666647 | Kegg ID | C13638 | ChemSpider ID | 92862 | FOODB ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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