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Record Information |
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Version | 4.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:41:27 UTC |
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Update Date | 2019-07-23 06:08:11 UTC |
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HMDB ID | HMDB0031175 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Tetrahydro-2-furanmethanol |
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Description | Tetrahydro-2-furanmethanol, also known as THFA or 2-hydroxymethyl-tetrahydrofuran, belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Tetrahydro-2-furanmethanol is an extremely weak basic (essentially neutral) compound (based on its pKa). Tetrahydro-2-furanmethanol is a faint, caramel, and cauliflower tasting compound. Outside of the human body,. A primary alcohol that is methanol in which one of the hydrogens of the methyl group has been replaced by a tetrahydrofuran-2-yl group. |
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Structure | |
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Synonyms | Value | Source |
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2-(Hydroxymethyl)tetrahydrofuran | ChEBI | Tetrahydro-2-furancarbinol | ChEBI | Tetrahydro-2-furanylmethanol | ChEBI | Tetrahydro-2-furfuryl alcohol | ChEBI | Tetrahydrofuryl carbinol | ChEBI | THFA | ChEBI | 2-Hydroxymethyl-tetrahydrofuran | HMDB | 2-Hydroxymethyltetrahydrofuran | HMDB | alpha-Tetrahydrofurfuryl alcohol | HMDB | FEMA 3056 | HMDB | Oxolan-2-methanol | HMDB | Qo tetrahydrofurfuryl alcohol | HMDB | Tetrahydrofurfuryl alcohol, 8ci | HMDB | Tetrahydrofurylmethanol | HMDB | Tetrahydrofurfuryl alcohol, (S)-isomer | HMDB | Tetrahydrofurfuryl alcohol, (R)-isomer | HMDB | Tetrahydro-2-furanmethanol | ChEBI |
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Chemical Formula | C5H10O2 |
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Average Molecular Weight | 102.1317 |
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Monoisotopic Molecular Weight | 102.068079564 |
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IUPAC Name | oxolan-2-ylmethanol |
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Traditional Name | tetrahydrofurfuryl alcohol |
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CAS Registry Number | 97-99-4 |
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SMILES | OCC1CCCO1 |
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InChI Identifier | InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2 |
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InChI Key | BSYVTEYKTMYBMK-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Tetrahydrofurans |
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Sub Class | Not Available |
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Direct Parent | Tetrahydrofurans |
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Alternative Parents | |
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Substituents | - Tetrahydrofuran
- Oxacycle
- Ether
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Source: Biological location: |
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Role | Biological role: |
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Physical Properties |
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State | Liquid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | < -80 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 1000 mg/mL at 25 °C | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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Spectra |
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| Spectrum Type | Description | Splash Key | View |
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GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-006x-9000000000-9411d51655677813066a | Spectrum | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-00dl-9000000000-c623d7fe47c3ac9514e4 | Spectrum | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-006x-9000000000-9411d51655677813066a | Spectrum | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-00dl-9000000000-c623d7fe47c3ac9514e4 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0096-9000000000-83aafc048b645c77b395 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-00fr-9400000000-faa293567ff7736fa97e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-2900000000-fbf530ec1063d3cf0818 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udr-9600000000-3f3da34e292d43f7510f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0abl-9000000000-39da84f13eaffcb1b24f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-1900000000-923b4e8b9c6e9c821fdb | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-9600000000-b90be65df448ce2c9d4f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-002f-9000000000-0401e85759c5c9f4017a | Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB003193 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 7082 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 7360 |
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PDB ID | Not Available |
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ChEBI ID | 137944 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Milosavljevic AR, Kocisek J, Papp P, Kubala D, Marinkovic BP, Mach P, Urban J, Matejcik S: Electron impact ionization of furanose alcohols. J Chem Phys. 2010 Mar 14;132(10):104308. doi: 10.1063/1.3352422. [PubMed:20232961 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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