Carbon Dioxide
CO2 · DRY ICE · carbondioxide(co2) · Trockeneis · Carbonic anhydride · r744 · Kohlendioxid · Drikold

Identifiers & Physical Properties
| CAS No. | 124-38-9 |
|---|---|
| Molecular formula | CO2 |
| Average molar mass | 44.009 g/mol |
| Monoisotopic mass | 43.98982924 g/mol |
| SMILES | O=C=O |
| InChIKey | CURLTUGMZLYLDI-UHFFFAOYSA-N |
| PubChem CID | 280 |
| ChEMBL | CHEMBL1231871 |
| ChEBI | CHEBI:16526 |
| EC No. | 204-696-9 |
| DTXSID | DTXSID4027028 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 34.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 3 |
| Formal charge | 0 |
| Complexity | 18.3 |
| Chemical classes | Toxic Gases & Vapors -> Simple Asphyxiants |
| Cosmetics | Propellant |
| pH | The pH of saturated CO2 solutions varies from 3.7 at 101 kPa (1 atm) to 3.2 at 2370 kPa (23.4 atm) |
| SpringerMaterials Properties | Schoenflies notation |
| Pesticides | Other TreatmentActive substance -> EU Pesticides database: Not approvedAgrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Approved |
| LogP (partition coefficient) | 0.83 |
| Odor | OdorlessFaintly pungent odorat 100.00%. odorless |
| Taste | Faint acid taste |
| Food additives | ANTIMICROBIAL AGENT, ANTIOXIDANT, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, FORMULATION AID, FREEZING OR COOLING AGENT, DIRECT CONTACT, PH CONTROL AGENT, PROCESSING AID, PROPELLANT, SOLVENT -> FDA Substance added to food |
| Density | 1.56 at -110.2 °F (USCG, 1999) - Denser than waterwill sinkAbsolute density: 0.1146 lb/cu ft at 25 °Cdensity: (gas at 0 °C) 1.976 g/L at 760 mm Hg(liq at 0 °C) 0.914 at 34.3 atm(solid) at -56.6 °C) 1.512critical density: 0.464Density: 1.799 g/LLiquid: volatile, odorless, density 1.101 at -37 °C, specific volume 8.76 cu ft/lb at 70 °FAbsolute density, gas at 101.325 kPa at 0 °C: 1.9770 kg/cu mrelative density, gas at 101.325 kPa at 0 °C (Air = 1): 1.53Latent heat of vaporization = 353.4 J/g at the triple point231.3 J/g at 0 °Cviscosity = 0.015 mPa-sec at 298 K and 101.3 kPagas density = 1.976 g/L at 273 K and 101.3 kPa1.977(0℃) |
| Viscosity | 21.29 uPa-sec at 300 K /26.85 °C/ |
| Color/Form | Colorless gasLiquid: colorlessSolid (dry ice): white, snow-like flakes or cubesColorless ... gas [Note: Shipped as a liquefied compressed gas. Solid form is utilized as dry ice]. |
| Melting point | −78.5 °C(lit.) |
| Boiling point | -78.46°C |
| Vapor density | 1.52 (vs air) |
| Vapor pressure | 56.5 atm ( 20 °C) |
| Refractive index | 1.0004 |
| Storage conditions | −70°C |
| Solubility | At 20 °C and at a pressure of 101 kPa, 1 volume dissolves in about 1 volume of water.mL CO2/100mL H2O at 760mm: 171 (0°C), 88 (20°C), 36 (60°C) [MER06] |
| Physical state | colorless gas |
| Color | colorless |
| Thermal conductivity | 0.016632 W/(m·K) |
| Specific heat capacity | Cp(gas): 0.84 J/(g·K), at 25℃ |
| Merck | 13,1819 |
| BRN | 1900390 |
| Henry's law constant | 3.4×10-4 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| Exposure limits | ACGIH:TLV-TWA 5000 ppm (9000 mg/m3)TLV-STEL 30,000 ppm (54,000 mg/m3)OSHA:PEL-TWA 5000 ppm (9000 mg/m3)NIOSH:REL-TWA 5000 ppmREL-STEL 30,000 ppm |
| Dielectric constant | 1.6(0℃) |
| Stability | Stable. Incompatible with chemically active metals, such as alkali metals. |
| Cosmetics Ingredients Functions | PROPELLANT |
| InChI | 1S/CO2/c2-1-3 |
| InChIKey | CURLTUGMZLYLDI-UHFFFAOYSA-N |
| SMILES | O=C=O |
| LogP (partition coefficient) | 0.830 (est) |
| Surface tension | 1.19mN/m at 293.15K |
| CAS DataBase Reference | 124-38-9(CAS DataBase Reference) |
| SCOGS (Select Committee on GRAS Substances) | Carbon dioxide |
| Substances Added to Food (formerly EAFUS) | CARBON DIOXIDE |
| FDA 21 CFR | 184.1240582.1240 |
| EWG's Food Scores | 1 |
| NCI Dictionary of Cancer Terms | carbon dioxide |
| FDA UNII | 142M471B3J |
| ATC code | V03AN02 |
| EPA Substance Registry System | Carbon dioxide (124-38-9) |
| UNSPSC Code | 12352119 |
| NACRES | NA.22 |
| CAS Number Unlabeled | 124-38-9 |
| GHS pictogram | GHS04 |
| Signal word | Warning |
| GHS hazard statements | H280 |
| GHS precautionary statements | P410+P403 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, multi-purpose combination respirator cartridge (US) |
| Safety statements (S) | 9 |
| UN transport number | UN 1013 2.2 (CARBON DIOXIDE) |
| Occupational exposure band (OEB) | A |
| Occupational exposure limit (OEL) | TWA: 5000 ppm (9000 mg/m3), STEL: 30,000 ppm (54,000 mg/m3) |
| Water hazard class (WGK) | - |
| RTECS number | FF6400000 |
| F | 4.5-31 |
| TSCA inventory status | TSCA listed |
| DOT Classification | 2.2 (Non-flammable gas) |
| Hazard class | 2.2Press. Gas Liquefied gas |
| Packing group | III |
| Customs code | 28112100 |
| Storage class | 2A - Gases |
| Hazardous substances data | 124-38-9(Hazardous Substances Data) |
| Immediately dangerous to life or health concentration | 40,000 ppm |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 4.9% (77 of 1570) of reports.WarningH280 (82%): Contains gas under pressuremay 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. |
|---|---|
| Regulatory information | Chemical: Carbon dioxideCommission Regulation No 844/2012Carbon 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) 2021/802008/127, Reg. (EU) 2017/195, Reg. (EU) 2020/1160, Reg. (EU) 2021/745, Reg. (EU) 2022/437, Reg. (EU) No 532/2013, Reg. (EU) No 540/2011Carbon dioxide: Non hazardous |
| Other safety information | IMAP assessments - Carbon dioxide: Human health tier I assessment |
| DOT label | Non-Flammable GasClass 9 |
| Fire hazards | Behavior in Fire: Containers may explode when heated. (USCG, 1999)Excerpt from ERG Guide 120 [Gases - Inert (Including Refrigerated Liquids)]:· Non-flammable gases. |
| Fire potential | Noncombustible gas. |
| Health hazards | 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)]:· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas. |
Applications & Uses
Description
Carbon dioxide is a colorless, odorless, noncombustible gas present throughout the atmosphere and is an essential compound for life on Earth. It is found on other planets in the solar system. Mars’s icecaps are primarily frozen carbon dioxide and Venus’s atmosphere is mostly carbon dioxide. Carbon dioxide occurs naturally as approximately 0.03% v/v of the atmosphere.Solid carbon dioxide, also known as dry ice, is usually encountered as white-colored pellets or blocks.
Occurrence
Carbon dioxide is found throughout nature. Its concentration in the air is 0.036% by volume. It is the primary component of exhaled air of all animals. It also is the product of oxidation of all carbonaceous matter and an end product of complete combustion. It also is found dissolved in natural waters. It occurs in the earth’s crust and in volcanic eruptions. All plants depend on carbon dioxide and water for their survival, making their food by the process of photosynthesis. Carbon dioxide is found in abundance in the atmospheres of many other planets and their moons throughout the solar system. Carbon dioxide is a greenhouse gas, which traps the infrared radiation reradiated back by the earth’s surface, causing global warming and, therefore, changing the climate. The CO2 concentration in the atmosphere over a 30- year period from 1960 to 1990 has increased significantly from about 320 to 356 ppm by volume, which is widely attributed to the growth of industrial and automobile CO2 emission during this period. Carbon dioxide has extensive commercial applications. Some important applications of this compound include carbonation of beverages; as a fire extinguishing agent; in the manufacture of carbonates; as dry ice (solid CO2) for refrigeration; as an aerosol propellant; as a shielding gas for welding; as an inert atmosphere in preparation and handling of flammable substances; in cloud seeding; in fumigation of rice; to produce harmless smoke on stage; as an antiseptic; and as a supercritical fluid to extract organic pollutants for their analyses.
History
The discovery of carbon dioxide, credited to Joseph Black (1728–1799), played a critical role in supplanting the phlogiston theory and advancing the development of modern chemistry. Black, in his medical studies, was searching for a substance to dissolve kidney stones, but he switched his subject to a study of stomach acidity. Black was working with the carbonates magnesia alba (magnesium carbonate) and calcium carbonate (limestone) and observed that when magnesia alba was heated or reacted with acids, it produced a gas and a salt. Black, who published his work in 1756, called the gas “fixed air” and noted that it had properties similar to those described by Jan Baptista van Helmont (1577–1644) for spiritus sylvestrius. Spiritus sylvestrius was the gas produced during combustion processes, and van Helmont realized that this was the same gas produced during fermentation and when acids reacted with seashells.
Preparation & Synthesis
Preparation
Carbon dioxide is produced as a by-product in many processes. It is pro duced as a by-product in the manufacture of lime from calcium carbonate: CaCO3 →CaO + CO2 CO2 also is derived from synthesis gas which is a mixture of CO, CO2, H2 and N2 from air obtained by steam reforming. Carbon dioxide also is obtained by combustion of natural gas: CH4 + 2O2 → CO2 + 2H2O It also is obtained as a by-product in the Haber-Bosch process for the man ufacture of ammonia. The method involves passing steam and air over hot coke. Carbon dioxide also is produced along with ethanol from fermentation of carbohydrates by yeast: C6H12O6→2CO2 + 2C2H5OH In the laboratory, CO2 may be produced by the reaction of any carbonate with a dilute mineral acid: CaCO3 + 2HCl → CaCl2 + CO2 + H2O