Carbon dioxide (CED0000550)

Record Information

Version

1.0

Creation Date

2009-07-05 03:13:33 UTC

Update Date

2026-05-14 19:03:04 UTC

Accession Number

CHEM002089

Identification

Common Name

Carbon dioxide

Class

Small Molecule

Description

Carbon dioxide (CO2) is an endogenous compound with an average molecular weight of 44.01 g/mol. Carbon dioxide belongs to the other non-metal oxides, a subclass of other non-metal organides within the inorganic compounds. At room temperature, it exists in a liquid physical state. It is a human metabolite, a bacterial metabolite (PMC7812356), and a general metabolite (PMC12155986), and it has been detected in the liver and kidney. Biologically, it acts as an antagonist and binds to the protein target adenylate cyclase type 2 (ADCY2). The compound is utilized across various sectors as a solvent (PMC10882674, PMC4168859), refrigerant, heat transferring agent, and pH regulating agent. Industrial applications include its use as a biocide, antioxidant, fumigant (PMC6468839), and as a non-motive propellant blowing agent for plastics such as polycarbonate, polyurethane, polystyrene, and expanded polystyrene. In the food industry, it serves as a propellant, packaging gas, and flavouring and nutrient. Environmentally, it is a nutrient (PMC11189328) and a greenhouse gas (PMC10254346, PMC10301045, PMC10788505, PMC12455453, PMC12500755, PMC12750241, PMC13257014, PMC13375326, PMC1569495, PMC10343502, PMC11787297, PMC11948318, PMC12395325, PMC9944454). Medical applications include its use as an anaesthetic and a vasodilator agent, and it is a treatment for diarrhea (PMC13415995). Exposure occurs via cutaneous, intraperitoneal, intragastric, soft tissue, and respiratory routes, with inhalation being well-supported in literature (PMC10299677, PMC10527527, PMC10571399, PMC11435667, PMC2174411, PMC2822858, PMC3254817, PMC3291088, PMC3454427, PMC3665837). Health effects associated with the compound include anxiety (PMC7151254), dyspnea (PMC7151254), fatigue (PMC9703447), loss of consciousness (PMC9737967), hypotension (PMC8125237), and cancer (PMC9880867). It may cause dizziness (PMC11314634, PMC11345184, PMC9027128), increased headache (PMC10571399, PMC9027128), increased confusion (PMC9027128), increased coma (PMC9027128), and increased dizziness (PMC9027128).

Contaminant Type

Food Toxin
Household Toxin
Human Neurotoxin
Industrial/Workplace Toxin
Metabolite
Natural Compound
Organic Compound
Vapour

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[CO2]	ChEBI
Carbonic anhydride	ChEBI
CO2	ChEBI
e 290	ChEBI
e-290	ChEBI
e290	ChEBI
R-744	ChEBI
Carbon oxide	HMDB
Carbon-12 dioxide	HMDB
Carbonic acid anhydride	HMDB
Carbonic acid gas	HMDB
Anhydride, carbonic	HMDB
Dioxide, carbon	HMDB

Chemical Formula

CO₂

Average Molecular Mass

44.010 g/mol

Monoisotopic Mass

43.990 g/mol

CAS Registry Number

124-38-9

IUPAC Name

methanedione

Traditional Name

carbon dioxide

SMILES

O=C=O

InChI Identifier

InChI=1S/CO2/c2-1-3

InChI Key

CURLTUGMZLYLDI-UHFFFAOYSA-N

Chemical Taxonomy

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'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Other non-metal organides

Sub Class

Other non-metal oxides

Direct Parent

Other non-metal oxides

Alternative Parents

Inorganic oxides

Substituents

Other non-metal oxide
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

one-carbon compound (CHEBI:16526 )
carbon oxide (CHEBI:16526 )
a small molecule (CARBON-DIOXIDE )

Biological Properties

Status

Detected and Not Quantified

Origin

Endogenous

Cellular Locations

Cytoplasm
Endoplasmic reticulum
Extracellular
Golgi apparatus
Mitochondria
Nucleus
Peroxisome

Biofluid Locations

Not Available

Tissue Locations

Kidney
Liver

Applications

Biological Roles

Chemical Roles

Organoleptic Effects

Not Available

Physical Properties

State

Liquid

Appearance

Colorless, odorless gas (5).

Experimental Properties

Property	Value
Melting Point	-56.5°C
Boiling Point	Not Available
Solubility	1.48 mg/mL at 25°C

Predicted Properties

Property	Value	Source
Water Solubility	186 g/L	ALOGPS
logP	-0.63	ALOGPS
logP	-0.28	ChemAxon
logS	0.63	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	34.14 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	6.38 m³·mol⁻¹	ChemAxon
Polarizability	2.57 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-0006-9000000000-ffb540455919d1e43969	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0006-9000000000-ffb540455919d1e43969	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0006-9000000000-9afc44eaa1fe34c4f458	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-eb2207f7400e9144fff7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-eb2207f7400e9144fff7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-eb2207f7400e9144fff7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-b7e6c1e22f1f90c5a8e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-b7e6c1e22f1f90c5a8e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-b7e6c1e22f1f90c5a8e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-a1e091bb1f5fa6e9cbc7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-a1e091bb1f5fa6e9cbc7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-a1e091bb1f5fa6e9cbc7	Not Available	View Spectrum
MS	MS Spectrum	splash10-0006-9000000000-e1cf88df1066f206d01f	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Carbon dioxide causes widespread activation of the sympathetic nervous system and an increase in the plasma concentrations of epinephrine, norepinephrine, angiotensin, and other vasoactive peptides . The response is mediated by various subcortical centers in the hypothalamus, brainstem reticular formation and medulla. These areas can be excited locally by carbon dioxide, but they also receive afferents from the carotid and aortic chemoreceptors that are sensitive to changes in carbon dioxide in the blood. The results of sympathetic nervous system activation are, in general, opposite to the local effects of carbon dioxide. The sympathetic effects consist of an increase in cardiac contractility and heart rate and vasoconstriction (3).

Carcinogenicity (IARC Classification)

No indication of carcinogenicity (not listed by IARC). (4)

Minimum Risk Level

Not Available

Symptoms

Flushed skin, full pulse, extrasystoles, muscle twitches, hand flaps, reduced neural activity, headache, and possibly a raised blood pressure. In severe poisoning, symptomatology progresses to disorientation, panic, hyperventilation, convulsions, unconsciousness, and eventually death (6).

Treatment

In case of inhalation, administer 100% humidified supplemental oxygen with assisted ventilation as required. Administer a benzodiazepine IV if seizures occur. Irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes if exposure occurred through eye exposure. In case of dermal exposure, rewarming and a variety of topical treatments are indicated for frostbite injury. (9)

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
470000.0	ppm	Not Available	Rat	LC50	Inhalation	experimental	L1146
250.0	Log mg/kg	[140:440]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference
cancer	associated_with	Not Available	PMC9880867
dizziness	associated_with	Not Available	PMC11314634 , PMC11345184 , PMC9027128
dizziness	associated_with	increase	PMC9027128
fatigue	associated_with	Not Available	PMC9703447
diarrhea	is_treatment_for	Not Available	PMC13415995
headache	associated_with	increase	PMC10571399 , PMC9027128
anxiety	associated_with	Not Available	PMC7151254
hypotension	associated_with	Not Available	PMC8125237
dyspnea	associated_with	Not Available	PMC7151254
confusion	associated_with	increase	PMC9027128
coma	associated_with	increase	PMC9027128
loss of consciousness	associated_with	Not Available	PMC9737967
panic disorder	associated_with	Not Available	PMC10571399

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
233	Brushes	Personal care & cosmetics	Not Available
409	Unclassified therapeutic products	Healthcare, pharmaceuticals & veterinary products	Not Available
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
501	Sunshades Awnings Or Outside Screens	Building & Construction	Not Available
502	Sunshades Awnings Or Outside Screens	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
512	Contacts	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
515	Discharge Tubes With Liquid Pool Cathodes	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
526	Loudspeakers	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
540	X Ray Tubes	Electrical & Electronic Equipment	Not Available
542	Brew Kettles	Food, food processing & cookware	Not Available
543	Cellar Tools	Food, food processing & cookware	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
547	Preparation Of Malt	Food, food processing & cookware	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
553	Treatment Of Hops	Food, food processing & cookware	Not Available
554	Ash Trays	Household cleaning & consumer products	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
566	Tobacco Pipes	Household cleaning & consumer products	Not Available
567	Tobacco Product Cases	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
571	Coins	Household items	Not Available
573	Key Rings	Household items	Not Available
574	Medals	Household items	Not Available
577	Watch Chains	Household items	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
584	Buoys	Marine, shipping & aquaculture	Not Available
586	Fishing Boats	Marine, shipping & aquaculture	Not Available
588	Inflatable Life Saving Equipment	Marine, shipping & aquaculture	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available
590	Lifeboat Equipment	Marine, shipping & aquaculture	Not Available
591	Lifeboats	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
593	Nautical Instruments	Marine, shipping & aquaculture	Not Available
594	Ship Hulls	Marine, shipping & aquaculture	Not Available
596	Acaricides	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
601	Lawn Mowers	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
621	Chutes And Slides	Recreation & sports surfaces	Not Available
622	Game Accessories	Recreation & sports surfaces	Not Available
629	Swings	Recreation & sports surfaces	Not Available
630	Toys	Recreation & sports surfaces	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
635	Buttons	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
639	Degreasing Leather	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
644	Hook Or Eye Fasteners	Textiles, leather & furnishings	Not Available
645	Inorganic Fibres	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
648	Nitro Dyes	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
656	Snap Fasteners	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
661	Umbrellas	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available
663	Sanitary Equipment	Wastewater, sanitation & biosolids	Not Available

Pathways

4254 pathways

Ammonia Recycling

Carnitine Synthesis

Catecholamine Biosynthesis

Citric Acid Cycle

Folate Metabolism

Glycine and Serine Metabolism

Histidine Metabolism

Ketone Body Metabolism

Methionine Metabolism

Pentose Phosphate Pathway

Spermidine and Spermine Biosynthesis

Threonine and 2-Oxobutanoate Degradation

View all 4254 pathways

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7783.83
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7784.22
Click to view 3D structure	3-ketoacyl-CoA synthase 20	Q9FG87	Arabidopsis thaliana	Predicted (SEA)	335.919
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	7672.74
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7784.53
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	7784.14
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	7784.22
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	7784.14
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	7764.68
Click to view 3D structure	4-hydroxy-3-methylbut-2-enyl diphosphate reductase	O67625	Aquifex aeolicus (strain VF5)	Predicted (SEA)	450.124
Click to view 3D structure	GMP synthase [glutamine-hydrolyzing]	Q3THK7	Mus musculus	Predicted (SEA)	6967.43
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	7784.14
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	7673.99
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	7784.53
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	1997.92
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	7778.15
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	7778.31
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	7783.21
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	7782.9
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	7782.82
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	7784.46
Click to view 3D structure	Type IV secretion-like conjugative transfer relaxase protein TraI	B1LRJ1	Escherichia coli (strain SMS-3-5 / SECEC)	Predicted (SEA)	344.094
Click to view 3D structure	Interleukin-18	Q14116	Humans	Predicted (SEA)	6277.29
Click to view 3D structure	Carbonic anhydrase	P46510	Flaveria bidentis	Predicted (SEA)	5484.32
Click to view 3D structure	Adenylate cyclase type 2	Q08462	Humans	Known	Carbon dioxide binds to G-protein-responsive adenylyl cyclases (A321).