| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:04:42 UTC |
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| Update date | 2019-11-27 17:03:31 UTC |
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| Primary ID | FDB000753 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Ethanol |
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| Description | Intoxicating constituent of all alcoholic beverages. It is used as a solvent and vehicle for food dressings and flavourings. Antimicrobial agent, e.g for pizza crusts prior to baking. extraction solvent for foodstuffs. Widely distributed in fruits and other foods
Ethanol is a volatile, flammable, colorless liquid. It is a powerful psychoactive drug and one of the oldest recreational drugs. Best known as the type of alcohol found in alcoholic beverages, it is also used in thermometers, as a solvent, and as a fuel. In common usage, it is often referred to simply as alcohol or spirits. Ethanol is a general biomarker for the consumption of alcohol. |
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| CAS Number | 64-17-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1-Hydroxyethane | ChEBI | | [CH2Me(OH)] | ChEBI | | [OEtH] | ChEBI | | Alcohol | ChEBI | | Alcohol etilico | ChEBI | | Alcool ethylique | ChEBI | | Alkohol | ChEBI | | Aethanol | ChEBI | | Aethylalkohol | ChEBI | | C2H5OH | ChEBI | | Dehydrated ethanol | ChEBI | | Etanol | ChEBI | | Ethyl alcohol | ChEBI | | EtOH | ChEBI | | Hydroxyethane | ChEBI | | Methylcarbinol | ChEBI | | Spiritus vini | ChEBI | | Anhydrous ethanol | Kegg | | Absolute alcohol | HMDB | | Absolute ethanol | HMDB | | Absolute ethyl alcohol | HMDB | | Alcare hand degermer | HMDB | | Alcohols | HMDB | | Alcool etilico | HMDB | | Algrain | HMDB | | Alkoholu etylowego | HMDB | | Anhydrol | HMDB | | Anhydrous alcohol | HMDB | | Cologne spirit | HMDB | | Cologne spirits | HMDB | | Dehydrated alcohol | HMDB | | Denatured alcohol | HMDB | | Denatured ethanol | HMDB | | Desinfektol el | HMDB | | Diluted alcohol | HMDB | | Distilled spirits | HMDB | | Ethanol 200 proof | HMDB | | Ethanol solution | HMDB | | Ethicap | HMDB | | Ethyl alc | HMDB | | Ethyl alcohol anhydrous | HMDB | | Ethyl alcohol in alcoholic beverages | HMDB | | Ethyl alcohol usp | HMDB | | Ethyl hydrate | HMDB | | Ethyl hydroxide | HMDB | | Fermentation alcohol | HMDB | | Grain alcohol | HMDB | | Hinetoless | HMDB | | Infinity pure | HMDB | | Jaysol | HMDB | | Jaysol S | HMDB | | Lux | HMDB | | Molasses alcohol | HMDB | | Potato alcohol | HMDB | | Punctilious ethyl alcohol | HMDB | | Pyro | HMDB | | Silent spirit | HMDB | | Spirit | HMDB | | Spirits OF wine | HMDB | | Spirt | HMDB | | Synasol | HMDB | | Tecsol | HMDB | | Tecsol C | HMDB | | Thanol | HMDB | | Undenatured ethanol | HMDB | | Alcohol, absolute | HMDB | | Alcohol, ethyl | HMDB | | Alcohol, grain | HMDB | | 1-hydroxyethane | manual | | Drinking alcohol | manual | | Ethylic alcohol | manual | | Ethylol | manual | | FEMA 2419 | db_source | | Pure alcohol | manual |
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| Predicted Properties | |
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| Chemical Formula | C2H6O |
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| IUPAC name | ethanol |
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| InChI Identifier | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 |
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| InChI Key | LFQSCWFLJHTTHZ-UHFFFAOYSA-N |
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| Isomeric SMILES | CCO |
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| Average Molecular Weight | 46.0684 |
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| Monoisotopic Molecular Weight | 46.041864814 |
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| Classification |
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| Description | belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Alcohols and polyols |
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| Direct Parent | Primary alcohols |
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| Alternative Parents | |
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| Substituents | - Hydrocarbon derivative
- Primary alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Physiological effect | Health effect: |
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| Disposition | Route of exposure: Source: Biological location: |
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| Process | Naturally occurring process: |
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| Role | Indirect biological role: Industrial application: |
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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 | Liquid | |
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| Physical Description | Not Available | |
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| Mass Composition | C 52.14%; H 13.13%; O 34.73% | DFC |
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| Melting Point | Fp -117.3° (-112.3°) | DFC |
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| Boiling Point | Bp16 4° | DFC |
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| Experimental Water Solubility | 1000 mg/mL at 25 oC | RIDDICK,JA et al. (1986) |
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| Experimental logP | -0.31 | HANSCH,C ET AL. (1995) |
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| Experimental pKa | pKa 15.93 (25°) | DFC |
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| Isoelectric point | Not Available | |
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| Charge | 0 | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | d204 0.79 | DFC |
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| Refractive Index | n20.5D 1.3610 | DFC |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | |
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| GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-001j-9000000000-a705823ce4aeba7f89e1 | View in MoNA |
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| GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-001j-9000000000-a705823ce4aeba7f89e1 | View in MoNA |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-002b-9000000000-7fa80a491183c1cdd23e | View in MoNA |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-0fmi-9200000000-587cc3c48ab7fbf9cd3a | View in MoNA |
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| LC-MS/MS | LC-MS/MS Spectrum - EI-B (HITACHI RMU-7M) , Positive | splash10-001j-9000000000-a705823ce4aeba7f89e1 | View in MoNA |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-9000000000-d75d9996bc68c673f090 | View in MoNA |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9000000000-893c2599624722912f25 | View in MoNA |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-9000000000-8af4124822065023744f | View in MoNA |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-9000000000-22231ed69c5f28bfed79 | View in MoNA |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9000000000-d2881505c47bbef13f18 | View in MoNA |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9000000000-2ed988bb761ac20ba44a | View in MoNA |
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| MS | Mass Spectrum (Electron Ionization) | splash10-003s-9000000000-dabf5a61c5a7da9fbe13 | View in MoNA |
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| 1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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| 1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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| 1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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| 1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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| 1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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| 1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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| 2D NMR | [1H,1H] 2D NMR Spectrum | Not Available | View in JSpectraViewer |
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| 2D NMR | [1H,13C] 2D NMR Spectrum | Not Available | View in JSpectraViewer |
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| External Links |
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| ChemSpider ID | 682 |
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| ChEMBL ID | CHEMBL545 |
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| KEGG Compound ID | C00469 |
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| Pubchem Compound ID | 702 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 16236 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | DB00898 |
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| HMDB ID | HMDB00108 |
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| CRC / DFC (Dictionary of Food Compounds) ID | BGT97-X:BGT97-X |
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| EAFUS ID | 1148 |
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| Dr. Duke ID | ETHANOL|ETHYL-ALCOHOL |
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| BIGG ID | 35062 |
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| KNApSAcK ID | C00019560 |
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| HET ID | EOH |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | 64-17-5 |
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| GoodScent ID | rw1000511 |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Ethanol |
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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 | | Descriptor | ID | Definition | Reference |
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| allergenic | 50904 | A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. | DUKE | | anesthetic | | | DUKE | | anhydrotic | | | DUKE | | anti atherosclerotic | 38070 | A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. | DUKE | | anti bacterial | 33282 | A substance that kills or slows the growth of bacteria. | DUKE | | anti pruritic | 50177 | A drug used to treat or prevent skin disorders or for the routine care of skin. | DUKE | | anti septic | 33281 | A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. | DUKE | | central nervous system depressant | 35470 | A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. | DUKE | | expectorant | 52217 | Any substance introduced into a living organism with therapeutic or diagnostic purpose. | DUKE | | hepatotoxic | 50908 | A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals. | DUKE | | hypertensive | | | DUKE | | hypnotic | | | DUKE | | hypocalcemic | | | DUKE | | hypotensive | | | DUKE | | mucotropic | | | DUKE | | neurolytic | | | DUKE | | pesticide | 25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | DUKE | | rubefacient | | | DUKE | | sclerosant | | | DUKE | | surfactant | 35195 | A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces. | DUKE | | teratogenic | 50905 | A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect. | DUKE | | tremorilytic | | | DUKE | | ulcerogenic | | | DUKE | | neurotoxic | 50910 | A poison that interferes with the functions of the nervous system. | CHEBI |
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| Enzymes | | Name | Gene Name | UniProt ID |
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| Serum paraoxonase/lactonase 3 | PON3 | Q15166 | | Serum paraoxonase/arylesterase 1 | PON1 | P27169 | | Serum paraoxonase/arylesterase 2 | PON2 | Q15165 | | Lysosomal acid phosphatase | ACP2 | P11117 | | Sulfotransferase family cytosolic 2B member 1 | SULT2B1 | O00204 | | Alcohol dehydrogenase [NADP(+)] | AKR1A1 | P14550 | | 3-mercaptopyruvate sulfurtransferase | MPST | P25325 | | Beta-glucuronidase | GUSB | P08236 | | Plasma alpha-L-fucosidase | FUCA2 | Q9BTY2 | | Lecithin retinol acyltransferase | LRAT | O95237 | | Nuclear receptor subfamily 1 group I member 3 | NR1I3 | Q14994 | | Fatty acyl-CoA reductase 2 | FAR2 | Q96K12 | | Acyl-CoA wax alcohol acyltransferase 2 | AWAT2 | Q6E213 | | Testicular acid phosphatase | ACPT | Q9BZG2 | | Carboxylesterase 5A | CES5A | Q6NT32 | | Acid phosphatase-like protein 2 | ACPL2 | Q8TE99 | | Synaptic vesicle membrane protein VAT-1 homolog-like | VAT1L | Q9HCJ6 | | Quinone oxidoreductase PIG3 | TP53I3 | Q53FA7 | | Synaptic vesicle membrane protein VAT-1 homolog | VAT1 | Q99536 |
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| Pathways | | Name | SMPDB Link | KEGG Link |
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| Ethanol Degradation | SMP00449 | 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 | | Flavor | Citations |
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| sweet |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
| | strong |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| | alcoholic |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| | ethereal |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| | medical |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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| Files |
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| MSDS | show |
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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 | — Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).
— U.S. Department of Agriculture, Agricultural Research Service. 2008. USDA National Nutrient Database for Standard Reference, Release 21. Nutrient Data Laboratory Home Page.
— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
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