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79-21-0

79-21-0 Structure

79-21-0 Structure
IdentificationMore
[Name]

Peroxyacetic acid
[CAS]

79-21-0
[Synonyms]

acetic peroxide
ACETYL HYDROPEROXIDE
ethaneperoxoic acid
Osbon AC
PERACETIC ACID
PEROXYACETIC ACID
4,4'-Di(methoxy)-azobenzene
Acide peracetique
acideperacetique
acideperacetique(french)
acideperoxyacetique(french)
acidoperoxiacetico
caswellno.644
CH3C(O)OOH
Desoxon 1
desoxon1
epapesticidechemicalcode063201
Estosteril
Ethanperoxosαure
Hydroperoxide, acetyl
[EINECS(EC#)]

201-186-8
[Molecular Formula]

C2H4O3
[MDL Number]

MFCD00002128
[Molecular Weight]

76.05
[MOL File]

79-21-0.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid with an acrid odour
[Melting point ]

-44 °C
[Boiling point ]

105 °C
[density ]

1.19 g/mL at 20 °C
[vapor pressure ]

Low
[refractive index ]

n20/D 1.391
[Fp ]

41 °C
[storage temp. ]

2-8°C
[pka]

8.2(at 25℃)
[color ]

Colorless liquid
[Odor]

Acrid odor
[Stability:]

Unstable-may explode on heating. May react violently with organic materials. Incompatible with strong oxidizing agents, acetic anhydride, alkenes, organics.
[Water Solubility ]

soluble, >=10 g/100 mL at 19 ºC
[Merck ]

13,7229
[BRN ]

1098464
[LogP]

-0.26 at 20℃
[CAS DataBase Reference]

79-21-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethaneperoxoic acid(79-21-0)
[EPA Substance Registry System]

79-21-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

O,C,N
[Risk Statements ]

R7:May cause fire.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R35:Causes severe burns.
R50:Very Toxic to aquatic organisms.
R10:Flammable.
R34:Causes burns.
R22:Harmful if swallowed.
R20:Harmful by inhalation.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S3/7:Keep container tightly closed in a cool place .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S14:Keep away from ... (incompatible materials to be indicated by the manufacturer) .
S60:This material and/or its container must be disposed of as hazardous waste .
S9:Keep container in a well-ventilated place .
S7:Keep container tightly closed .
S3:Keep in a cool place .
[RIDADR ]

UN 3109 5.2
[WGK Germany ]

2
[RTECS ]

SD8750000
[F ]

4.4-8
[Autoignition Temperature]

Explodes when heated to 110 °C
[HazardClass ]

5.2
[PackingGroup ]

II
[HS Code ]

29159000
[Safety Profile]

Poison by ingestion. Moderately toxic by inhalation and skin contact. A corrosive eye, sktn, and mucous membrane irritant. Questionable carcinogen with experimental tumorigenic data by skin contact. Flammable liquid. Severe explosion hazard when exposed to heat or by spontaneous chemical reaction. Explodes violently at 1 10°C. A powerful oxidizing agent. Explosive reaction with acetic anhydride, 5-p-chlorophenyl-2,2-dimethyl-3hexanone. Violent reaction with ether solvents (e.g., tetrahydrofuran, diethyl ether), metal chloride solutions (e.g., calcium chloride, potassium chloride, sodium chloride), olefins, organic matter. Dangerous; keep away from combustible materials. When heated to decomposition it emits acrid smoke and irritating fumes. To fight fire, use water, foam, CO2. Used as a polymerization initiator, curing agent, and cross-linhng agent. See also PEROXIDES, ORGANIC.
[Hazardous Substances Data]

79-21-0(Hazardous Substances Data)
[Toxicity]

LD50 (mg/kg) in rats: 1540 orally; in rabbits: 1410 dermally; LC50 in rats (mg/m3): 450 by inhalation (Klopotek)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen peroxide
[Preparation Products]

Glycerol-->Octanoic acid-->3,5-DIFLUORO-PYRIDIN-4-YLAMINE-->2-AMINO-4-METHOXYPYRIDINE-3-CARBOXYLIC ACID-->4-Vinylcyclohexene dioxide-->4-METHOXY-3-METHYLPYRIDIN-2-AMINE-->2-Chloro-4-nitropyridine 1-oxide-->Cefaclor monohydrate-->2-CHLORO-4-METHOXY-3-METHYLPYRIDINE-->Tazobactam acid-->FENOXAPROP-ETHYL-->2-CHLORO-3-METHYL-4-METHOXYPYRIDINE N-OXIDE-->4-NITRO-PYRIDIN-2-YLAMINE-->N-(4-NITROPYRIDIN-2-YL)ACETAMIDE-->2-CHLORO-3-METHYL-4-NITROPYRIDINE N-OXIDE-->2-ACETAMIDO-4-NITROPYRIDINE-N-OXIDE-->2-Chloropyridine-N-oxide-->4-AMINO-3-FORMYLPYRIDINE-->2-AMINO-4-NITROPYRIDINE-N-OXIDE-->Glycidol-->4-AMINO-5-CHLOROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER-->5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID-->1,2-Epoxyhexane-->CYCLOOCTENE OXIDE-->Oxfendazole-->16,17-Epoxy-3,17-dihydroxyestra-1,3,5(10)-triene-3,17-diacetate-->BLEACHEDSTARCH-->TRICHLOROETHYL 6-(PHENYLACETAMIDO)PENICILLANATE S-OXIDE-->2,2,2-Trichloroethyl3-methyl-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicydo[4.2.0]oct-2-ene-2-carboxylate-->1,2-Epoxyoctane-->ε-Caprolactone-->delta-Valerolactone-->DIELDRIN
Hazard InformationBack Directory
[General Description]

Colorless liquid with a strong, pungent acrid odor. Used as a bactericide and fungicide, especially in food processing; as a reagent in making caprolactam and glycerol; as an oxidant for preparing epoxy compounds; as a bleaching agent; a sterilizing agent; and as a polymerization catalyst for polyester resins.
[Reactivity Profile]

Self-reactive. Peracids should be handled only in small quantities and with extreme care when pure or very concentrated. Organic peracids, such as PERACETIC ACID(79-21-0), are so unstable that they may explode during distillation, even under reduced pressure [NFPA 1991].
[Air & Water Reactions]

Soluble in water
[Health Hazard]

This is a very toxic compound. The probable human oral lethal dose is 50-500 mg/kg, or between 1 teaspoon and 1 ounce for a 150 pound person.
[Fire Hazard]

Decomposes violently at 230F. When heated to decomposition, this compound emits acrid smoke and fumes. Runoff to sewer may create a fire or explosion hazard. Powerful oxidizer. Isolate from other stored material, particularly accelerators, oxidizers, and organic or flammable materials. Avoid shock and heat. Hazardous polymerization may not occur.
[Description]

Since the early 1900s, chlorine has been used as a water disinfectant. It was favored by water and wastewater industries for disinfection until several harmful disinfection by-products were discovered in chlorinated water. Studies were done to find and eliminate disinfection byproduct precursors and look for an alternative disinfectant, which turned out to be peracetic acid, or PAA. Peracetic acid is a chemical product belonging to peroxide compounds such as hydrogen peroxide. However, unlike hydrogen peroxide, it is a more potent antimicrobial agent. Peracetic acid has high germicidal efficiency and sterilizing capability, and its degradation residuals are not dangerous to the environment or toxic to human health. Until 1960, peracetic acid was of special interest to the food processing industry and actually was considered the only agent able to replace glutaraldehyde in the sterilization of surgical, medical, and odontoiatry instruments. The actual core medical applications of peracetic acid are its potent antimicrobial action, also at low temperatures, and the total absence of toxic residuals.
[Chemical Properties]

colourless liquid with an acrid odour
[Uses]

Environmentally friendly biocide; disinfectant in the food and beverage industry; bleaching agent for textiles and paper. Oxidizing agent in organic synthesis.
[Uses]

Peroxyacetic acid is used as an epoxidizingagent, for bleaching, as a germicide and fungicide, and in the synthesis of pharmaceuticals.Its solution Dialox is used as a cleansing andsterilizing agent in the reuse of highly permeable dialyzers. Turcic et al. (1997) have reported the efficacy of peroxyacetic acid asa local antiseptic in healing war wounds.Oxidative degradation of polynuclear aromatic hydrocarbons by peroxy acid in contaminated soils has been effectively achieved(N’Guessan et al. 2004).
[Uses]

This microprocessor-controlled, low-temperature sterilization agent is a strong oxidizing disinfectant against a wide spectrum of antimicrobial activity. Peracetic acid is active against many microorganisms, such as gram-positive and -negative bacteria, fungi, spores, and yeast. This ideal antimicrobial agent is primarily used in food processing and handling as a sanitizer for food contact surfaces. Peracetic acid is also used to disinfect medical supplies and prevent biofilm formation in pulp industries. It can be applied during water purification as a disinfectant and for plumbing disinfection. Peracetic acid is suitable for disinfecting cooling tower water and effectively prevents biofilm formation and controls Legionella bacteria.
[Definition]

ChEBI: Peracetic acid is a peroxy acid that is acetic acid in which the OH group is substituted by a hydroperoxy group. It is a versatile oxidising agent that is used as a disinfectant. It has a role as an oxidising agent and a disinfectant. It is functionally related to an acetic acid.
[Production Methods]

Peracetic acid (PAA) is a mixture of acetic acid (CH3COOH) and hydrogen peroxide (H2O2) in an aqueous solution. It is a very strong oxidizing agent and has stronger oxidation potential than chlorine or chlorine dioxide. Liquid, clear, and colorless with no foaming capability. It has a strong pungent acetic acid odor, and the pH is acid . Peracetic acid is produced by reacting acetic acid and hydrogen peroxide. The reaction is allowed to continue for up to 10 days in order to achieve high yields of product. Additional methods of preparation involve the oxidation of acetaldehyde or alternatively as an end product of the reaction of acetic anhydride, hydrogen peroxide, and sulfuric acid. Another method involves the reaction of tetraacetylethylenediamine (TAED) in the presence of an alkaline hydrogen peroxide solution.
[Flammability and Explosibility]

Peracetic acid explodes when heated to 110 °C, and the pure compound is extremely shock sensitive. Virtually all peracids are strong oxidizing agents and decompose explosively on heating. Moreover, most peracids are highly flammable and can accelerate the combustion of other flammable materials if present in a fire. Fires involving peracetic acid can be fought with water, dry chemical, or halon extinguishers. Containers of peracetic acid heated in a fire may explode.
[Agricultural Uses]

Fungicide, Herbicide, Nematicide, Rodenticide, Microbiocide: This compound is used as bactericide and fungicide, especially in food processing, a reagent in making caprolactam and glycerol; an oxidant for preparing epoxy compounds; a bleaching agent; a sterilizing agent; and a polymerization catalyst for polyester resins. Not approved for use in EU countries. Registered for use in the U.S. and Canada.
[Trade name]

DESOXON 1®; ESTOSTERIL®; OSBON AC®; OXYMASTER®; PROXITANE®
[Environmental Fate]

Routes and pathways, and relevant physicochemical properties (e.g., solubility, Pow, Henry constant,.)
Melting point ? 0.2 °C.
Log Kow ? 1.07.
Solubility: very soluble in ether, sulfuric acid, and ethanol; miscible with water 1.0 × 106 mg l1 at 25 °C.
Henry’s law constant ? 2.14 × 106 atm-m3 mol1 at 25 °C
Environmental persistency (degradation/speciation)
Peracetic acid is formed naturally in the environment through a series of photochemical reactions involving formaldehyde and photo oxidant radicals. The pKa of peracetic acid is 8.2, indicating that this compound exists partially in anion form in the environment, and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts. It degrades in the environment very quickly but has no potential to bioaccumulate. Its ultimate fate in the environment is in the basic molecules of carbon dioxide, oxygen, and water.
Bioaccumulation and biomagnification
An estimated BCF of 3 was calculated in fish for peracetic acid, using an estimated log Kow of -1.07 and a regression-derived equation. The BCF suggests that the potential for bioconcentration in aquatic organisms is low.
[storage]

Reactions involving large quantities of peracids should be carried out behind a safety shield. Peracetic acid should be used only in areas free of ignition sources and should be stored in tightly sealed containers in areas separate from oxidizable compounds and flammable substances. Other commonly available peracids, such as perbenzoic acid and m-chloroperbenzoic acid (MCPBA), are less toxic, less volatile, and more easily handled than peracetic acid.
[Toxicity evaluation]

Peracetic acid kills microorganisms by oxidation and subsequent disruption of their cell membrane via the hydroxyl radical. Because diffusion is slower than the half-life of the radical, it will react with any oxidizable compound in its vicinity. Peracetic acid, also, is not deactivated by catalase and peroxidase enzymes produced by microorganisms. Therefore, it can damage virtually all types of macromolecules associated with a microorganism, such as carbohydrates, nucleic acids, lipids, and amino acids. The mechanism of oxidation is the transfer of electrons; therefore, the stronger the oxidizer will produce faster and ultimately leads to cell lyse and true microbial death.
[Incompatibilities]

Peracids such as peracetic acid are strong oxidizing agents and react exothermically with easily oxidized substrates. In some cases the heat of reaction can be sufficient to induce ignition, at which point combustion is accelerated by the presence of the peracid. Violent reactions may potentially occur, for example, with ethers, metal chloride solutions, olefins, and some alcohols and ketones. Shock-sensitive peroxides may be generated by the action of peracids on these substances as well as on carboxylic anhydrides. Some metal ions, including iron, copper, cobalt, chromium, and manganese, may cause runaway peroxide decomposition. Peracetic acid is also reportedly sensitive to light.
[Waste Disposal]

Excess peracetic acid and waste material containing this substance should be placed in an appropriate container, clearly labeled, and handled according to your institution's waste disposal guidelines. Peracids may be incompatible with other flammable mixed chemical waste; for example, shock-sensitive peroxides can be generated by reaction with some ethers such as THF and diethyl ether.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

peroxyacetic acid(79-21-0).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Peroxyacetic acid(79-21-0)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Peroxyacetic acid, ca. 35 wt.% solution in diluted acetic acid(79-21-0)
[Sigma Aldrich]

79-21-0(sigmaaldrich)
79-21-0 suppliers list
Tags:79-21-0 Related Product Information
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