Record Information
Version1.0
Creation date2010-04-08 22:04:42 UTC
Update date2018-05-29 00:30:24 UTC
Primary IDFDB000753
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameEthanol
DescriptionIntoxicating 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.
CAS Number64-17-5
Structure
Thumb
Synonyms
SynonymSource
[CH2Me(OH)]ChEBI
[OEtH]ChEBI
1-hydroxyethanemanual
Absolute alcoholmanual
Absolute ethanolHMDB
Absolute ethyl alcoholHMDB
AethanolChEBI
AethylalkoholChEBI
Alcare hand degermerHMDB
Alcohol etilicoChEBI
AlcoholsHMDB
Alcool ethyliqueChEBI
Alcool etilicoHMDB
AlgrainHMDB
AlkoholChEBI
Alkoholu etylowegoHMDB
AnhydrolHMDB
Anhydrous alcoholHMDB
C2H5OHChEBI
Cologne spiritHMDB
Cologne spiritsHMDB
Dehydrated alcoholHMDB
Dehydrated ethanolChEBI
Denatured ethanolHMDB
Desinfektol elHMDB
Diluted alcoholHMDB
Distilled spiritsHMDB
Drinking alcoholmanual
EtanolChEBI
Ethanol 200 proofHMDB
Ethanol solutionHMDB
EthicapHMDB
Ethyl alcHMDB
Ethyl alcoholdb_source
Ethyl alcohol anhydrousHMDB
Ethyl alcohol in alcoholic beveragesHMDB
Ethyl alcohol uspHMDB
Ethyl hydratemanual
Ethyl hydroxidemanual
Ethylic alcoholmanual
Ethylolmanual
EtOHChEBI
FEMA 2419db_source
Fermentation alcoholHMDB
Grain alcoholmanual
HinetolessHMDB
Hydroxyethanedb_source
Infinity pureHMDB
JaysolHMDB
Jaysol SHMDB
LuxHMDB
Methylcarbinolmanual
Molasses alcoholHMDB
Potato alcoholHMDB
Punctilious ethyl alcoholHMDB
Pure alcoholmanual
PyroHMDB
Silent spiritHMDB
SpiritHMDB
Spirits OF wineHMDB
Spiritus viniChEBI
SpirtHMDB
SynasolHMDB
TecsolHMDB
Tecsol CHMDB
ThanolHMDB
Undenatured ethanolHMDB
Predicted PropertiesNot Available
Chemical FormulaC2H6O
IUPAC name
InChI IdentifierInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI KeyLFQSCWFLJHTTHZ-UHFFFAOYSA-N
Isomeric SMILESCCO
Average Molecular Weight46.0684
Monoisotopic Molecular Weight46.041864814
Classification
ClassificationNot classified
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Process

Naturally occurring process:

Role

Indirect biological role:

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionC 52.14%; H 13.13%; O 34.73%DFC
Melting PointFp -117.3° (-112.3°)DFC
Boiling PointBp16 4°DFC
Experimental Water Solubility1000 mg/mL at 25 oCRIDDICK,JA et al. (1986)
Experimental logP-0.31HANSCH,C ET AL. (1995)
Experimental pKapKa 15.93 (25°)DFC
Isoelectric pointNot Available
Charge0
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd204 0.79DFC
Refractive Indexn20.5D 1.3610DFC
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001j-9000000000-a705823ce4aeba7f89e1View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001j-9000000000-a705823ce4aeba7f89e1View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-002b-9000000000-7fa80a491183c1cdd23eView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-0fmi-9200000000-587cc3c48ab7fbf9cd3aView in MoNA
LC-MS/MSLC-MS/MS Spectrum - EI-B (HITACHI RMU-7M) , Positivesplash10-001j-9000000000-a705823ce4aeba7f89e1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-d75d9996bc68c673f090View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-893c2599624722912f25View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-8af4124822065023744fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-22231ed69c5f28bfed79View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-d2881505c47bbef13f18View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-2ed988bb761ac20ba44aView in MoNA
MSMass Spectrum (Electron Ionization)splash10-003s-9000000000-dabf5a61c5a7da9fbe13View in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
2D NMR[1H,1H] 2D NMR SpectrumNot AvailableView in JSpectraViewer
2D NMR[1H,13C] 2D NMR SpectrumNot AvailableView in JSpectraViewer
ChemSpider ID682
ChEMBL IDCHEMBL545
KEGG Compound IDC00469
Pubchem Compound ID702
Pubchem Substance IDNot Available
ChEBI ID16236
Phenol-Explorer IDNot Available
DrugBank IDDB00898
HMDB IDHMDB00108
CRC / DFC (Dictionary of Food Compounds) IDBGT97-X:BGT97-X
EAFUS ID1148
Dr. Duke IDETHANOL|ETHYL-ALCOHOL
BIGG ID35062
KNApSAcK IDC00019560
HET IDEOH
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID64-17-5
GoodScent IDrw1000511
SuperScent IDNot Available
Wikipedia IDEthanol
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
allergenic50904 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.DUKE
anestheticDUKE
anhydroticDUKE
anti atherosclerotic38070 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 bacterial33282 A substance that kills or slows the growth of bacteria.DUKE
anti pruritic50177 A drug used to treat or prevent skin disorders or for the routine care of skin.DUKE
anti septic33281 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.DUKE
central nervous system depressant35470 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.DUKE
expectorant52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
hepatotoxic50908 A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.DUKE
hypertensiveDUKE
hypnoticDUKE
hypocalcemicDUKE
hypotensiveDUKE
mucotropicDUKE
neurolyticDUKE
pesticide25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.DUKE
rubefacientDUKE
sclerosantDUKE
surfactant35195 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
teratogenic50905 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
tremorilyticDUKE
ulcerogenicDUKE
neurotoxic50910 A poison that interferes with the functions of the nervous system.CHEBI
Enzymes
NameGene NameUniProt ID
Serum paraoxonase/lactonase 3PON3Q15166
Serum paraoxonase/arylesterase 1PON1P27169
Serum paraoxonase/arylesterase 2PON2Q15165
Lysosomal acid phosphataseACP2P11117
Sulfotransferase family cytosolic 2B member 1SULT2B1O00204
Alcohol dehydrogenase [NADP(+)]AKR1A1P14550
3-mercaptopyruvate sulfurtransferaseMPSTP25325
Beta-glucuronidaseGUSBP08236
Plasma alpha-L-fucosidaseFUCA2Q9BTY2
Lecithin retinol acyltransferaseLRATO95237
Nuclear receptor subfamily 1 group I member 3NR1I3Q14994
Fatty acyl-CoA reductase 2FAR2Q96K12
Acyl-CoA wax alcohol acyltransferase 2AWAT2Q6E213
Testicular acid phosphataseACPTQ9BZG2
Carboxylesterase 5ACES5AQ6NT32
Acid phosphatase-like protein 2ACPL2Q8TE99
Synaptic vesicle membrane protein VAT-1 homolog-likeVAT1LQ9HCJ6
Quinone oxidoreductase PIG3TP53I3Q53FA7
Synaptic vesicle membrane protein VAT-1 homologVAT1Q99536
Pathways
NameSMPDB LinkKEGG Link
Ethanol DegradationSMP00449 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
sweet
  1. 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
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
alcoholic
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
ethereal
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
medical
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
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.