Record Information
Version1.0
Creation date2010-04-08 22:11:04 UTC
Update date2018-05-29 01:09:35 UTC
Primary IDFDB014084
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCarbon dioxide
DescriptionLeavening agent, propellant, aerating agent, preservative. Solvent for supercritical extraction e.g. of caffeine in manufacture of caffeine-free instant coffee. It is used in carbonation of beverages, in the frozen food industry and as a component of controlled atmosphere packaging (CAD) to inhibit bacterial growth. Especies effective against Gram-negative spoilage bacteria, e.g. Pseudomonas A colorless, odorless gas that can be formed by the body and is necessary for the respiration cycle of plants and animals. Carbon dioxide is produced during respiration by all animals, fungi and microorganisms that depend on living and decaying plants for food, either directly or indirectly. It is, therefore, a major component of the carbon cycle. Additionally, carbon dioxide is used by plants during photosynthesis to make sugars which may either be consumed again in respiration or used as the raw material to produce polysaccharides such as starch and cellulose, proteins and the wide variety of other organic compounds required for plant growth and development. When inhaled at concentrations much higher than usual atmospheric levels, it can produce a sour taste in the mouth and a stinging sensation in the nose and throat. These effects result from the gas dissolving in the mucous membranes and saliva, forming a weak solution of carbonic acid. Carbon dioxide is used by the food industry, the oil industry, and the chemical industry. Carbon dioxide is used to produce carbonated soft drinks and soda water. Traditionally, the carbonation in beer and sparkling wine comes about through natural fermentation, but some manufacturers carbonate these drinks artificially.; As of March 2009[update], carbon dioxide in the Earth's atmosphere is at a concentration of 387 ppm by volume. Atmospheric concentrations of carbon dioxide fluctuate slightly with the change of the seasons, driven primarily by seasonal plant growth in the Northern Hemisphere. Concentrations of carbon dioxide fall during the northern spring and summer as plants consume the gas, and rise during the northern autumn and winter as plants go dormant, die and decay. Carbon dioxide is a greenhouse gas as it transmits visible light but absorbs strongly in the infrared and near-infrared.; CO2 is an acidic oxide: an aqueous solution turns litmus from blue to pink. It is the anhydride of carbonic acid, an acid which is unstable and is known to exist only in aqueous solution.; Carbon dioxide (chemical formula: CO2) is a chemical compound composed of two oxygen atoms covalently bonded to a single carbon atom. It is a gas at standard temperature and pressure and exists in Earth's atmosphere in this state.; Carbon dioxide in earth's atmosphere is considered a trace gas currently occurring at an average concentration of about 385 parts per million by volume or 582 parts per million by mass. The total mass of atmospheric carbon dioxide is 3.0×1015 kg (3,000 gigatonnes). Its concentration varies seasonally (see graph at right) and also considerably on a regional basis, especially near the ground. In urban areas concentrations are generally higher and indoors they can reach 10 times background levels. Carbon dioxide is a greenhouse gas.; Carbon dioxide is an end product in organisms that obtain energy from breaking down sugars, fats and amino acids with oxygen as part of their metabolism, in a process known as cellular respiration. This includes all plants, animals, many fungi and some bacteria. In higher animals, the carbon dioxide travels in the blood from the body's tissues to the lungs where it is exhaled. In plants using photosynthesis, carbon dioxide is absorbed from the atmosphere.; Carbon dioxide is one of the mediators of local autoregulation of blood supply. If its levels are high, the capillaries expand to allow a greater blood flow to that tissue.; Carbon dioxide is one of the most commonly used compressed gases for pneumatic (pressurized gas) systems in portable pressure tools and combat robots.; Carbon dioxide was one of the first gases to be described as a substance distinct from air. In the seventeenth century, the Flemish chemist Jan Baptist van Helmont observed that when he burned charcoal in a closed vessel, the mass of the resulting ash was much less than that of the original charcoal. His interpretation was that the rest of the charcoal had been transmuted into an invisible substance he termed a "gas" or "wild spirit" (spiritus sylvestre).; Liquid carbon dioxide is a good solvent for many lipophilic organic compounds, and is used to remove caffeine from coffee. First, the green coffee beans are soaked in water. The beans are placed in the top of a column seventy feet (21 m) high. Then supercritical carbon dioxide in fluid form at about 93 degrees Celsius enters at the bottom of the column. The caffeine diffuses out of the beans and into the carbon dioxide. Carbon dioxide is found in many foods, some of which are common salsify, italian sweet red pepper, shallot, and okra.
CAS Number124-38-9
Structure
Thumb
Synonyms
SynonymSource
[CO2]ChEBI
Carbonic anhydrideChEBI
CO2ChEBI
e 290ChEBI
e-290ChEBI
e290ChEBI
R-744ChEBI
Carbon oxideHMDB
Carbon-12 dioxideHMDB
Carbonic acid anhydrideHMDB
Carbonic acid gasHMDB
Anhydride, carbonicHMDB
Dioxide, carbonHMDB
Aer fixusbiospider
After-dampbiospider
Anhydride carboniquebiospider
Carbon dioxide (99.8%)biospider
Carbon dioxide (JP15/USP)biospider
Carbon dioxide (TN)biospider
Carbon dioxide [UN1013] [Nonflammable gas]biospider
Carbon dioxide [usan]biospider
Carbon Dioxide 100%biospider
Carbon dioxide ionbiospider
Carbon dioxide uspbiospider
Carbon dioxide, ion(1-)biospider
Carbon dioxide, solid or dry ice [UN1845] [Class 9]biospider
Carbon oxide (CO2)db_source
Carbon oxide, di-biospider
Carbon-14c Dioxidebiospider
Carbon-dioxidebiospider
Carbonic acid, gasbiospider
Carbonicabiospider
Carbonicebiospider
Carboxyl radicalbiospider
Cardicebiospider
Coo-biospider
Dioxido de carbonobiospider
Dioxidocarbonbiospider
Dioxomethanebiospider
Dioxyde de carbonebiospider
Dricoldbiospider
Drikoldbiospider
DRY icebiospider
E290db_source
Khladon 744biospider
Kohlendioxydbiospider
Makr carbon dioxidebiospider
Methane, dioxo-biospider
Predicted Properties
PropertyValueSource
Water Solubility186 g/LALOGPS
logP-0.63ALOGPS
logP-0.28ChemAxon
logS0.63ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity6.38 m³·mol⁻¹ChemAxon
Polarizability2.57 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCO2
IUPAC namemethanedione
InChI IdentifierInChI=1S/CO2/c2-1-3
InChI KeyCURLTUGMZLYLDI-UHFFFAOYSA-N
Isomeric SMILESO=C=O
Average Molecular Weight44.0095
Monoisotopic Molecular Weight43.989829244
Classification
Description belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal oxides
Direct ParentOther non-metal oxides
Alternative Parents
Substituents
  • Other non-metal oxide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionC 27.29%; O 72.71%DFC
Melting PointMp -57 under 5 atm.°DFC
Boiling PointSubl. -78.46°DFC
Experimental Water Solubility1.48 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logP0.83HANSCH,C ET AL. (1995)
Experimental pKa6.35, 10.33
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd 1DFC
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0006-9000000000-ffb540455919d1e43969View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0006-9000000000-ffb540455919d1e43969View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9000000000-9afc44eaa1fe34c4f458View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-9000000000-eb2207f7400e9144fff7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-eb2207f7400e9144fff7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-eb2207f7400e9144fff7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-b7e6c1e22f1f90c5a8e0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-b7e6c1e22f1f90c5a8e0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-b7e6c1e22f1f90c5a8e0View in MoNA
MSMass Spectrum (Electron Ionization)splash10-0006-9000000000-e1cf88df1066f206d01fView in MoNA
ChemSpider ID274
ChEMBL IDCHEMBL1231871
KEGG Compound IDC00011
Pubchem Compound ID280
Pubchem Substance IDNot Available
ChEBI ID16526
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01967
CRC / DFC (Dictionary of Food Compounds) IDJNR87-R:JNR87-R
EAFUS ID519
Dr. Duke IDNot Available
BIGG ID33506
KNApSAcK IDNot Available
HET IDCO2
Flavornet IDNot Available
GoodScent IDrw1227321
SuperScent IDNot Available
Wikipedia IDCarbon Dioxide
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
Aromatic-L-amino-acid decarboxylaseDDCP20711
Lysine-specific demethylase 2AKDM2AQ9Y2K7
Lysine-specific demethylase 2BKDM2BQ8NHM5
Aminomethyltransferase, mitochondrialAMTP48728
Glycine dehydrogenase [decarboxylating], mitochondrialGLDCP23378
Glycine cleavage system H protein, mitochondrialGCSHP23434
Histidine decarboxylaseHDCP19113
Serine palmitoyltransferase 1SPTLC1O15269
Prolyl 4-hydroxylase subunit alpha-2P4HA2O15460
Prolyl 4-hydroxylase subunit alpha-1P4HA1P13674
Prolyl 4-hydroxylase subunit alpha-3P4HA3Q7Z4N8
Liver carboxylesterase 1CES1P23141
Lysosomal acid lipase/cholesteryl ester hydrolaseLIPAP38571
Carboxylesterase 5ACES5AQ6NT32
6-phosphogluconate dehydrogenase, decarboxylatingPGDP52209
Ornithine decarboxylaseODC1P11926
Peroxiredoxin-6PRDX6P30041
Gamma-glutamyltranspeptidase 1GGT1P19440
Gamma-glutamyltransferase 6GGT6Q6P531
Gamma-glutamyltransferase 5GGT5P36269
Malonyl-CoA decarboxylase, mitochondrialMLYCDO95822
Fatty acid synthaseFASNP49327
Glutamate decarboxylase 2GAD2Q05329
Glutamate decarboxylase 1GAD1Q99259
Arginine decarboxylaseADCQ96A70
Cocaine esteraseCES2O00748
Cysteine sulfinic acid decarboxylaseCSADQ9Y600
Pyruvate dehydrogenase E1 component subunit beta, mitochondrialPDHBP11177
Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrialPDHA1P08559
Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrialPDHA2P29803
2-oxoisovalerate dehydrogenase subunit beta, mitochondrialBCKDHBP21953
2-oxoglutarate dehydrogenase, mitochondrialOGDHQ02218
2-oxoglutarate dehydrogenase-like, mitochondrialOGDHLQ9ULD0
Carbonic anhydrase 6CA6P23280
Carbonic anhydrase-related proteinCA8P35219
Carbamoyl-phosphate synthase [ammonia], mitochondrialCPS1P31327
Uridine 5'-monophosphate synthaseUMPSP11172
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrialDLATP10515
Phosphatidylserine decarboxylase proenzymePISDQ9UG56
Elongation of very long chain fatty acids protein 4ELOVL4Q9GZR5
Multifunctional protein ADE2PAICSP22234
Serine palmitoyltransferase 2SPTLC2O15270
Serine palmitoyltransferase 3SPTLC3Q9NUV7
Diphosphomevalonate decarboxylaseMVDP53602
Cytosolic 10-formyltetrahydrofolate dehydrogenaseALDH1L1O75891
Mitochondrial 10-formyltetrahydrofolate dehydrogenaseALDH1L2Q3SY69
2-amino-3-carboxymuconate-6-semialdehyde decarboxylaseACMSDQ8TDX5
3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrialOXSMQ9NWU1
D-dopachrome decarboxylaseDDTP30046
Pathways
NameSMPDB LinkKEGG Link
Ammonia RecyclingSMP00009 map00910
Carnitine SynthesisSMP00465 Not Available
Catecholamine BiosynthesisSMP00012 map00350
Citric Acid CycleSMP00057 map00020
Folate MetabolismSMP00053 map00670
Glycine and Serine MetabolismSMP00004 map00260
Histidine MetabolismSMP00044 map00340
Ketone Body MetabolismSMP00071 map00072
Methionine MetabolismSMP00033 map00270
Pentose Phosphate PathwaySMP00031 map00030
Spermidine and Spermine BiosynthesisSMP00445 Not Available
Threonine and 2-Oxobutanoate DegradationSMP00452 Not Available
Transfer of Acetyl Groups into MitochondriaSMP00466 Not Available
Vitamin K MetabolismSMP00464 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  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