Carbon Dioxide

HCID 178543160CAS 18923-20-1

基本情報

標準SMILES
O=C=O
InChIKey
CURLTUGMZLYLDI-UHFFFAOYSA-N
分子式
CO2
平均分子量
44.009 g/mol

概要

Carbon dioxide appears as a colorless odorless gas at atmospheric temperatures and pressures. Relatively nontoxic and noncombustible. Heavier than air and may asphyxiate by the displacement of air. Soluble in water. Forms carbonic acid, a mild acid. Under prolonged exposure to heat or fire the container may rupture violently and rocket. Used to freeze food, to control chemical reactions, and as a fire extinguishing agent.

名称と識別子

優先名称
Carbon Dioxide
IUPAC
carbon dioxide
英語名
After-damp
分子式
CO2
分子量
44.0095

名称と別名

carbon dioxidecarbonic anhydride124-38-9carbonic acid gasCarbonic acid anhydridemethanedioneCarbonicaKohlendioxydCarbon oxide, di-KohlensaureKhladon 744After-damp
名称をさらに表示
AER FixusAnhydride carboniqueDioxido de carbonoDioxyde de carboneCarbon oxide (CO2)R 744Carbon-12 dioxideINS NO.290

データベース識別子

CAS
18923-20-1
ChEMBL
CHEMBL1231871
ChEBI
CHEBI:16526
UNII
142M471B3J
EC Number
204-696-9、686-102-1
Nikkaji
J43.600C

物性

構造計算による物性

XLogP
0.9
極性表面積
34.1 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
3

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Simple Asphyxiants
CosmeticsPropellant
pHThe pH of saturated CO2 solutions varies from 3.7 at 101 kPa (1 atm) to 3.2 at 2370 kPa (23.4 atm)
SpringerMaterials PropertiesSchoenflies notation
Pesticides · 4 件

Other Treatment

Active substance -> EU Pesticides database: Not approved

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

LogP · 2 件

0.83

0.83

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 4.9% (77 of 1570) of reports.

Warning

H280 (82%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]

P282, P336+P317, P403, and P410+P403 (click each P-code to see the statement)

Aggregated GHS information provided per 1570 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 97.4% (38 of 39) of all reports.

危険有害性情報

Regulatory Information · 6 件

Chemical: Carbon dioxide

Commission Regulation No 844/2012

Carbon dioxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbon dioxide are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Reg. (EU) 2021/80

2008/127, Reg. (EU) 2017/195, Reg. (EU) 2020/1160, Reg. (EU) 2021/745, Reg. (EU) 2022/437, Reg. (EU) No 532/2013, Reg. (EU) No 540/2011

Carbon dioxide: Non hazardous

Other Safety InformationIMAP assessments - Carbon dioxide: Human health tier I assessment
DOT Label · 3 件

Non-Flammable Gas

Non-Flammable Gas

Class 9

Fire Hazards · 6 件

Behavior in Fire: Containers may explode when heated. (USCG, 1999)

Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:

Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:

· Non-flammable gases.

· Non-flammable gases.

· Non-flammable gases.

Fire PotentialNoncombustible gas.
Health Hazards · 6 件

Inhalation causes increased respiration rate, headache, subtle physiological changes for up to 5% concentration and prolonged exposure. Higher concentrations can cause unconsciousness and death. Solid can cause cold contact burns. Liquid or cold gas can cause freezing injury to skin or eyes similar to a burn. (USCG, 1999)

Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:

Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

安全と保護具

Fire Fighting · 4 件

Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:

Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:

Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:

In case of fire in the surroundings, use appropriate extinguishing media. In case of fire: keep cylinder cool by spraying with water. Combat fire from a sheltered position.

First Aid Measures · 3 件

Fresh air, rest. Administration of oxygen may be needed. Artificial respiration may be needed. Refer for medical attention.

ON FROSTBITE: rinse with plenty of water, do NOT remove clothes. Refer for medical attention .

ON FROSTBITE: rinse with plenty of water. Refer for medical attention.

Accidental Release Measures · 6 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch or walk through spilled material.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch or walk through spilled material.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch or walk through spilled material.

First Aid · 6 件

Excerpt from NIOSH Pocket Guide for Carbon dioxide:

Excerpt from NIOSH Pocket Guide for Carbon dioxide:

Excerpt from NIOSH Pocket Guide for Carbon dioxide:

General First Aid:

General First Aid:

General First Aid:

Safe StorageFireproof if in building. Cool. Ventilation along the floor.
Firefighting Hazards · 1 件

/Carbon dioxide/ is not effective for use on fires involving chemicals that have their own oxygen supply (i.e., cellulose nitrate); or on fires involving reactive metals (such as, potassium, sodium, magnesium, aluminum, titanium and zirconium) or their hydrides as these materials decompose carbon dioxide.

毒性情報

Treatment · 1 件

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. (T36)

Interactions · 5 件

Reactive oxygen species (ROS) are harmful because they can oxidize biological macromolecules. We show here that atmospheric CO(2) (concentration range studied: 40-1,000 ppm.) increases death rates due to H(2)O(2) stress in Escherichia coli in a dose-specific manner. This effect is correlated with an increase in H(2)O(2)-induced mutagenesis and, as shown by 8-oxo-guanine determinations in cells, DNA base oxidation rates. Moreover, the survival of mutants that are sensitive to aerobic conditions (Hpx(-) dps and recA fur), presumably because of their inability to tolerate ROS, seems to depend on CO(2) concentration. Thus, CO(2) exacerbates ROS toxicity by increasing oxidative cellular lesions.

The responsiveness of respiratory center to stimulation by CO2 ... is depressed by anoxia and various drugs such as ether, alcohol, chloroform, morphine, barbital, etc.

The role of CO2 in hyperbaric oxygen toxicity was investigated by administering acetazolamide ..., tris buffer (tris-hydroxymethyl) aminomethane, and NaHCO3 by ip injection, and by exposure of other groups of animals to an atmosphere of 5% CO2 and 95% O2. All animals were placed in a pressure chamber and maintained at 50 psig in 100% O2 until death. The tris buffer and NaHCO3 buffer significantly extended /the/ time to onset of convulsions and to time of death. Acetazolamide and also 5% CO2 shortened /the/ time of convulsions and significantly shortened survival time. Apparently, increased tissue levels of CO2 play an important role in hyperbaric O2 toxicity. The cause of death in the animals exposed to hyperbaric O2 was pulmonary edema secondary to a systemic hypertension.

Toxicological interactions between carbon monoxide and carbon dioxide were evaluated in rats. Groups of six male Fischer rats were exposed for 30 minutes to carbon monoxide and CO2, either individually or in combination, or to the products of combustible materials. Exposure to carbon monoxide in air caused death within the first minute at concentrations of 4600 to 5000 ppm, which gave carboxyhemoglobin levels greater than 83%. With 2500 ppm carbon monoxide, blood pH decreased from 7.42 to 7.2. The CO2 concentrations tested (1.3 to 14.7%) were neither incapacitating nor lethal. When CO2 was added to sublethal concentrations of carbon monoxide, some of the rats died during either the 30 minute exposure period or in the following 24 hours. The rate of formation of carboxyhemoglobin from an exposure to 2500 ppm carbon monoxide was 1.5 times greater in the presence of 5.25% CO2. However, this could not explain the increased death rate, since the carboxyhemoglobin equilibrium level (78%) did not change. The combination of 2500 ppm carbon monoxide and 5.25% CO2 reduced the blood pH to 6.8. With the combined gases, the total CO2 and bicarbonate values remained low for at least 30 minutes after exposure indicating that a combination of respiratory and metabolic acidosis occurred in animals exposed to both gases. Carbon monoxide, CO2 and carboxyhemoglobin levels produced as a result of thermal combustion of 11 natural and synthetic materials at their median lethal concentrations were measured. Only polyphenylsulfone produced sufficient carbon monoxide and carboxyhemoglobin levels to suggest carbon monoxide as the primary toxicant. For the other materials the carbon monoxide concentration was too low to account for the deaths observed. It was concluded that in the range of 2500 to 4100 ppm, carbon monoxide alone has very little probability of causing death, but if it is combined with levels of CO2 above 1.5 % the probability of death is much higher.

For more Interactions (Complete) data for Carbon dioxide (6 total), please visit the HSDB record page.

Target Organsrespiratory system, cardiovascular system
Health EffectsCarbon dioxide poisoning (Hypercapnia) can induce increased cardiac output, an elevation in arterial blood pressure, and a propensity toward arrhythmias (L1145).
Ecotoxicity Values · 3 件

LC50; Species: /Oncorhynchus mykiss/ (Rainbow trout); Concentration: 240 mg/L for 1 hour /Conditions of bioassay not specified in source/

LC50; Species: /Oncorhynchus mykiss/ (Rainbow trout); Concentration: 35 mg/L for 96 hr /Conditions of bioassay not specified in source/

LC50; Species: /Oncorhynchus mykiss/ (Rainbow trout); Concentration: 60-240 mg/L for 12 hr /Conditions of bioassay not specified in source/

Environmental Fate · 1 件

The extensive sets of global CO2 measurements of the National Oceanic and Atmospheric Admin (NOAA) Geophysical Monitoring for Climatic Change (GMCC) division and of the Upper Atmosphere and Space Research Laboratory of Tohoku University are combined with a two-dimensional transport model to derive, in an "inverse" calculation, the latitudinal and seasonal distributions of sources and sinks of CO2 necessary to reproduce the observed concn. ... It is found that the southern oceans are a sink of carbon of 0.8 to 1.5 Gt/yr (1 Gt = 1 x 10 +15 g) and that the equatorial areas are a source to the atmosphere of 1.4 to 2.8 Gt. There seems to be significant seasonality in the sources and sinks of CO2, both in the tropics and in the southern oceans. Seasonal net ecosystem production north of 25 deg N is found to be 6.2 to 8.2 Gt of carbon. ... The global average net source of atmospheric CO2 estimated from the Tohoku data is 2.84 Gt C/yr, while for the GMCC data it is 2.98 Gt C/yr.

法規制情報

FDA Requirements · 2 件

Substance added directly to human food affirmed as generally recognized as safe (GRAS).

Carbon dioxide used as a general purpose food additive in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

FIFRA Requirements · 5 件

Residues of carbon dioxide are exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. Use: propellant. Limit: none.

Residues of carbon dioxide are exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals. Use: propellant. Limit: none.

The insecticide carbon dioxide is exempted from the requirement of a tolerance when used after harvest in modified atmospheres for stored insect control on food commodities.

The EPA has previously identified and required submission of generic (i.e., active ingredient specific) data required to support reregistration of products containing carbon and carbon dioxide as an active ingredients. EPA has also consulted and relied upon published literature as a source for technical information. EPA has completed its review of these generic data, and has determined that the data are sufficient to support reregistration of products containing carbon and carbon dioxide. ... EPA has determined that all products containing carbon or carbon dioxide as the active ingredient are eligible for reregistration.

As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their continued use. Under this pesticide reregistration program, EPA examines newer health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether the use of the pesticide does not pose unreasonable risk in accordance to newer safety standards, such as those described in the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern than those on List C, and with List C containing pesticides of greater concern than those on List D. Carbon dioxide is found on List D. Case No: 4019; Pesticide type: insecticide, rodenticide; Case Status: RED Approved 09/19; OPP has made a decision that some/all uses of the pesticide are eligible for reregistration, as reflected in a Reregistration Eligibility Decision (RED) document.; Active ingredient (AI): carbon dioxide; AI Status: OPP has completed a Reregistration Eligibility Decision (RED) document for the case/AI.

化学と産業

薬理情報

ATC Code · 2 件

V - Various

QV - Various

Bionecessity · 2 件

... Essential to photosynthesis and plant growth. CO2 absorbed by leaves and water absorbed by roots are converted to simple sugars by sun's energy in plant chlorophyll.

... Necessary for respiration cycle of ... animals.

Protein BindingNo protein binding data.
PharmacodynamicsData not found.
Mechanism of Action · 4 件

Data not found.

Supercritical carbon dioxide possesses germicide (bactericide and sporicide) effect. Despite of the fact, that this effect is used in industrial sterilization processes, the sterilization mechanism at molecular level is unclear. Our hypotheses can provide a molecular-biological explanation for the phenomenon. We believe that in supercritical state CO(2) reacts competitively with Met-tRNA(fMet), the formation rate and the amount of formyl-methionyl-tRNA (fMet-tRNA(fMet)) will be diminished by irreversible substrate consumption. The fMet-tRNA(fMet) possesses a key role in prokaryotic protein synthesis, being almost exclusively the initiator aminoacyl-tRNA. The formed carbamoyl-methionyl-tRNA (cMet-tRNA(fMet)), probably stable only under pressure and high CO(2) concentration, is stabilized by forming a ternary molecular complex with the GTP-form of the translational initiation factor 2 (GTP-IF2). This complex is unable to dissociate from preinitiation 70S ribosomal complex because of strong polar binding between the protein C-2 domain and the modified initiator aminoacyl-tRNA. The IF2-fMet-tRNA(fMet)-blocked 70S ribosomal preinitiation complex does not decompose following the GTP hydrolysis, becoming unable to synthesize proteins. The death of the microbial cell is caused by inhibition of the protein synthesis and energetic depletion. Moreover, we propose a possible mechanism for the accumulation of cMet-tRNA(fMet) in the bacterial cell. Since the translational process is an important target for antibiotics, the proposed mechanism could be a work hypothesis for discovery of new antibiotics. Made by high conservative character of prokaryotic translation initiation, the proposed IF2 pathway deterioration strategy may conduct to obtaining selective (with low mammalian toxicity) antimicrobials and at the same time, with reduced possibility of the drug resistance development.

... Well fed C. elegans (roundworm) avoid CO2 levels above 0.5%. Animals can respond to both absolute CO2 concentrations and changes in CO2 levels within seconds. Responses to CO2 do not reflect avoidance of acid pH but appear to define a new sensory response. Sensation of CO2 is promoted by the cGMP-gated ion channel subunits TAX-2 and TAX-4, but other pathways are also important. Robust CO2 avoidance in well fed animals requires inhibition of the DAF-16 forkhead transcription factor by the insulin-like receptor DAF-2. Starvation, which activates DAF-16, strongly suppresses CO2 avoidance. Exposure to hypoxia (<1% O2) also suppresses CO2 avoidance via activation of the hypoxia-inducible transcription factor HIF-1. The npr-1 215V allele of the naturally polymorphic neuropeptide receptor npr-1, besides inhibiting avoidance of high ambient O2 in feeding C. elegans, also promotes avoidance of high CO2. C. elegans integrates competing O2 and CO2 sensory inputs so that one response dominates. Food and allelic variation at NPR-1 regulate which response prevails. These results suggest that multiple sensory inputs are coordinated by C. elegans to generate different coherent foraging strategies.

... Adult Caenorhabditis elegans (roundworm) display an acute avoidance response upon exposure to CO2 that is characterized by the cessation of forward movement and the rapid initiation of backward movement. This response is mediated by a cGMP signaling pathway that includes the cGMP-gated heteromeric channel TAX-2/TAX-4. CO2 avoidance is modulated by multiple signaling molecules, including the neuropeptide Y receptor NPR-1 and the calcineurin subunits TAX-6 and CNB-1. Nutritional status also modulates CO2 responsiveness via the insulin and TGFbeta signaling pathways. CO2 response is mediated by a neural circuit that includes the BAG neurons, a pair of sensory neurons of previously unknown function. TAX-2/TAX-4 function in the BAG neurons to mediate acute CO2 avoidance. ... C. elegans senses and responds to CO2 using multiple signaling pathways and a neural network that includes the BAG neurons and this response is modulated by the physiological state of the worm.

Biological Half-LifeData not found.

用途と製造

Uses · 6 件

Used in carbonated beverages, fire extinguishers, dry ice, and propellants; A product of fermentation; [ACGIH] A product of animal metabolism and released when organic materials burn; a constituent of the earth's atmosphere at about 0.03% by volume; [Merck Index # 1809] Used in the deliming stage of leather production; [PMID 21938525]

Aluminum Producing [Category: Industry]

Smoking cigarettes [Category: Food & Drugs]

For carbon dioxide (USEPA/OPP Pesticide Code: 016601) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

Carbon dioxide is used as a pesticide for insect control in stored grain under modified atmospheres containing approx 60% carbon dioxide.

Rodenticide (mice and rats)

Impurities · 3 件

May contain traces of hydrogen sulfide and sulfur dioxide.

The main impurities present in ... carbon dioxide /from natural sources / are methane and hydrogen sulfide.

The necessary degree of purity is dependent on the final use to which the carbon dioxide is put. Because a large proportion is used in the food and drink industries, the major criteria for the quality of the carbon dioxide are that it should be free of odor and taste. Thus, all contaminants that could contribute to these two properties (e.g., sulfur compounds, oils, and hydrocarbons) should be removed, preferably to less than mg/kg levels. The main impurities present to any significant degree in the final purified product are usually nitrogen, oxygen, and argon (from air), and hydrogen and carbon monoxide (if the carbon dioxide came from a process-gas source).

U.S. Exports · 2 件

(1972) Negligible

(1975) Negligible

U.S. Imports · 2 件

(1972) Negligible

(1975) Negligible

U.S. Production · 6 件

2023: 100,000,000,000 - <110,000,000,000 lb

(1972) 1.46X10+12 grams

(1975) 1.68X10+12 grams

(1985) 3.92X10+12 g /liquid and solid only/

(1990) 10.37 billion lb

For more U.S. Production (Complete) data for Carbon dioxide (11 total), please visit the HSDB record page.

Consumption Patterns · 4 件

44% is used captively (42% as a chem raw material for urea prodn; and 2% in the prodn of methanol and sodium carbonate, for inerting, pressurizing in coal mining and oil recovery); 56% is used as merchant carbon dioxide (11% in refrigeration; 5% in carbonation; 3% as chem raw material; 3% in inerting; 1% for pressurizing in soft drink mfr, breweries, wineries, and as an aerosol propellant in some food products; 30% in oil well stimulation; and 3% in other applications). (1973)

Refrigeration, 35%; Beverage carbonization, 25%; Inerting and pressurizing, 10%; Enhanced oil recovery, 10%; Miscellaneous, 20% (1983)

A large portion (ca. 50%) of all the carbon dioxide recovered is used at the point of production to make further chemicals of commercial importance, mainly urea and methanol

About 51% of the carbon dioxide used in the US is used in the food industry...it is generally used for food freezing or chilling; approximately 18% is used for beverage carbonation...both soft drinks and beer production consume the largest quantity for carbonation; about 10% is used for chemical manufacturing; other applications include metal working (4%) and oil and gas recovery (6%)

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