ContaminantDB: Ozone

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (1)XML

Record Information

Version

1.0

Creation Date

2014-09-11 05:13:38 UTC

Update Date

2026-04-16 20:47:39 UTC

Accession Number

CHEM003683

Identification

Common Name

Ozone

Class

Small Molecule

Description

Ozone is a pale blue gas with a distinctively pungent smell. Ozone is formed from dioxygen by the action of ultraviolet light and also atmospheric electrical discharges. It is present in low concentrations throughout the Earth's atmosphere. In total, ozone makes up only 0.6 ppm of the atmosphere. In standard conditions, ozone is a pale blue gas that condenses at progressively cryogenic temperatures to a dark blue liquid and finally a violet-black solid. Ozone is a powerful oxidant (far more so than oxygen gas) and has many industrial and consumer applications related to oxidation. This same high oxidizing potential, however, causes ozone to damage mucus and respiratory tissues in animals, and also tissues in plants, above concentrations of about 100 ppb. Ozone's odor is sharp, reminiscent of chlorine, and detectable by many people at concentrations of as little as 10 ppb in air. Ozone, along with reactive forms of oxygen such as superoxide, singlet oxygen, hydrogen peroxide, and hypochlorite ions, is naturally produced by white blood cells. The largest use of ozone is in the preparation of pharmaceuticals, synthetic lubricants, and many other commercially useful organic compounds. It can also be used for bleaching substances and for killing microorganisms in air and water sources. Many municipal drinking water systems kill bacteria with ozone instead of the more common chlorine.

Contaminant Sources

Clean Air Act Chemicals
EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals
OSHA Hazardous Chemicals
T3DB toxins

Contaminant Type

Food Toxin
Industrial/Workplace Toxin
Inorganic Compound
Lachrymator
Metabolite
Natural Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Oxygen, mol (O3)	HMDB
OZON	HMDB
Ozone heavy work	HMDB
Ozone heavy, moderate, or light workloads (<2 hours)	HMDB
Ozone light work	HMDB
Ozone moderate work	HMDB
Ozone, 11ci	HMDB
Ozono	HMDB
Triatomic oxygen	HMDB
Trioxid-2-en-2-ium-1-ide	HMDB
Trioxygen	HMDB
Trioxygene	HMDB

Chemical Formula

O₃

Average Molecular Mass

47.998 g/mol

Monoisotopic Mass

47.985 g/mol

CAS Registry Number

10028-15-6

IUPAC Name

trioxirane

Traditional Name

cyclic ozone

SMILES

O1OO1

InChI Identifier

InChI=1S/O3/c1-2-3-1

InChI Key

XQOAKYYZMDCSIA-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

Not Available

Substituents

Other non-metal oxide

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Endogenous and Exogenous

Cellular Locations

Extracellular

Biofluid Locations

Not Available

Tissue Locations

Lung
Nasal Passages

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Gas

Appearance

Light blue gas.

Experimental Properties

Property	Value
Melting Point	-251 °C
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	0.45	ChemAxon
pKa (Strongest Basic)	-6.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	34.29 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	4.05 m³·mol⁻¹	ChemAxon
Polarizability	2.22 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	1	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	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-be30dca12c52c2bb5f3a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-be30dca12c52c2bb5f3a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-be30dca12c52c2bb5f3a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9000000000-60959792246836c9582e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-9000000000-60959792246836c9582e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0002-9000000000-60959792246836c9582e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-ebe7a0b0fb1a1236ce9f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-ebe7a0b0fb1a1236ce9f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-ebe7a0b0fb1a1236ce9f	Spectrum

Toxicity Profile

Route of Exposure

Inhalation

Mechanism of Toxicity

Ozone is a strong oxidant and reacts directly with organic double bonds. When ozone breaks down to dioxygen it gives rise to oxygen free radicals, which are highly reactive and capable of damaging many organic molecules. Moreover, it is believed that the powerful oxidizing properties of ozone may be a contributing factor of inflammation. When inhaled, ozone reacts with compounds lining the lungs to form specific, cholesterol-derived metabolites that are thought to facilitate the build-up and pathogenesis of atherosclerotic plaques. These metabolites have been confirmed as naturally occurring in human atherosclerotic arteries and are categorized into a class of secosterols termed atheronals, generated by ozonolysis of cholesterol's double bond to form a 5,6 secosterol. Ozone has also been shown to form the suspected carcinogen bromate when it is introduced to source water with high bromide concentrations. Studies have also demonstrated an increase in collagen, a structural protein involved in fibrosis, following prolonged ozone exposure. Acute and short-term exposure studies have demonstrated ozone’s effects on lung lipids which include an increase in arachidonic acid (a pro-inflammatory molecule).

Metabolism

Ozone can spontaneously break down to dioxygen. Most inhaled ozone reacts with cellular lipids and forms lipid peroxides which are eventually eliminated in the feces.

Toxicity Values

0.1 to 1 umol/mol will cause acute toxic effects. 40 nmol/mol will cause long term lung problems. Pulmonary edema developed in welders who had a severe acute exposure to an estimated 9 ppm ozone plus other air pollutants.

Lethal Dose

50 ppm for 60 minutes is expected to be fatal to humans.

Carcinogenicity (IARC Classification)

No indication of carcinogenicity (not listed by IARC) (8). Tests in mice found no carcinogenic effect (7).

Uses/Sources

Produced by white blood cells, generated by lightning, photocopiers and UV light. Used as an industrial chemical in the preparation of pharmaceuticals, synthetic lubricants. Used for bleaching and as a disinfectant.

Minimum Risk Level

Susceptible people can be adversely affected by ozone levels as low as 40 nmol/mol. In the EU, the current target value for ozone concentrations is 120 µg/m³ which is about 60 nmol/mol. In the US the recommended EPA standard is 75 nmol/mol.

Health Effects

At acute levels, ozone is an irritant and lachrymator. At chronically low doses (~40 nmol/mol) there is a great deal of evidence to show that ground level ozone can harm lung function and irritate the respiratory system. Long-term exposure to ozone and the pollutants that produce it is linked to premature death, asthma, bronchitis, heart attacks and other cardiopulmonary problems. Long-term exposure to ozone has been shown to increase risk of death from respiratory illness. An 18-year study on 450,000 people in the US revealed that those living in cities with high ozone levels such as Houston or Los Angeles had an over 30% increased risk of dying from lung disease. Both acute and chronic exposures to ozone can negatively impact the barrier function of the lung, and these exposures can initiate an inflammatory response from the immune system. This immune response involves the release of biologically active mediators that can have adverse effects on the lung tissue itself. Some effects may include the thickening of the air-blood barrier in the lungs, thus reducing the diffusion of oxygen into the blood. Animals exposed to ozone produce and release high amounts of a sugar known as hyaluronan. Hyaluronan has been shown to be directly responsible for causing lung airways to narrow and become irritated. (6)

Symptoms

Exposure of 0.1 to 1 μmol/mol produces headaches, burning eyes and irritation to the respiratory passages. Exposure to 10 ppm ozone will cause pulmonary edema. Low doses act as a depressant and will induce sleep in certain individuals.

Treatment

EYES: Hold eye open and rinse slowly and gently with water for 15-20 minutes. Remove contact lenses, if present, after the first 5 minutes, then continue rinsing eye. Call a poison control center or doctor for treatment advice. INHALATION: Move person to fresh air. If person is not breathing, call 911 or an ambulance, then give artificial respiration, preferably by mouth-to-mouth if possible. Call a poison control center or doctor for further treatment advice.

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0035409

FooDB ID

FDB014085

Phenol Explorer ID

Not Available

KNApSAcK ID