Acetic Anhydride

HCID 7918CAS 108-24-7

기본 정보

표준 SMILES
CC(=O)OC(C)=O
InChIKey
WFDIJRYMOXRFFG-UHFFFAOYSA-N
분자식
C4H6O3
평균 분자량
102.09 g/mol
단동위원소 질량
102.03169405

개요

Acetic anhydride appears as a clear colorless liquid with a strong odor of vinegar. Flash point 129 °F. Corrosive to metals and tissue. Density 9.0 lb /gal. Used to make fibers, plastics, pharmaceuticals, dyes, and explosives.

이름 및 식별자

우선 이름
Acetic Anhydride
IUPAC
acetyl acetate
현지명
무수초산
영어명
Acetic anhydride
분자식
C4
분자량
102.09

이름 및 동의어

ACETIC ANHYDRIDEAcetyl acetate108-24-7AcetanhydrideEthanoic anhydrideAcetyl oxideAcetyl anhydrideAcetic oxideAcetic acid, anhydrideacetic acid anhydrideAcetyl etherAnhydride acetique
이름 더 보기
아세트산무수물아세트산화물무수아세트산무수초산빙초산ACETICACIDANHYDRIDE아세틸아세트산아세틸에테르에탄오익무수물에탄오익산무수물아세트 산, 무수물아세트 산화물아세틸 무수물아세틸 아세트산아세틸 에테르에탄오익 무수물에탄오익 산 무수물아세틸무수물AC2Oacetic(CH3CO)2OAcetic Anhydride (Controlled Chemical)acetic anhydrid
Anidride aceticaOctowy bezwodnikAzijnzuuranhydrideEssigsaeureanhydridEthanoic anhydrateAnhydrid kyseliny octoveAcetic acid, 1,1'-anhydrideDTXSID0024395

데이터베이스 식별자

CAS
108-24-7、285977-77-7、285977-78-8
PubChem CID
7918
DTXSID
DTXSID0024395
ChEMBL
CHEMBL1305819
ChEBI
CHEBI:36610
UNII
2E48G1QI9Q
EC Number
203-564-8、694-162-5、694-163-0
Nikkaji
J2.417A

물성

구조 계산 물성

XLogP
-0.1
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
7

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Acid Anhydrides, Other

Corrosives

SpringerMaterials PropertiesSchoenflies notation
LogP · 2건

-0.480

-0.27 (calculated)

Odor · 2건

Strong acetic odor

Strong, pungent, vinegar-like odor

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 6건

1.08 (USCG, 1999) - Denser than water; will sink

1.082 g/cu cm at 20 °C

Relative density (water = 1): 1.08 (20 °C)

1.08

1.082 @ 20°C

1.08

물리화학적 성질

녹는점
-73.1 °C · -73.1 °C
끓는 점
140 °C · 140 °C
밀도
1.087 · 1.087
증기 밀도
3.5 · 3.5 (vs air)
증기압
10 mm · 10 mm Hg ( 36 °C)
굴절률
20 · n20/D 1.390(lit.)
화학적 성질 · 1건

Acetic anhydride, or ethanoic anhydride, is the chemical compound with the formula (CH3CO)2O. Commonly abbreviated Ac2O, it is the simplest isolatable acid anhydride and is a widely used reagent in organic synthesis. It is a combustible, colorless, strongly refractive, liquid that smells strongly of acetic acid, formed by its reaction with the moisture in the air. Acetic anhydride is an esterification agent used in the preparation of modified starch and for acetylation of acetylated monoglycerides.

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H226 (99.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 6건

Chemical: Acetic acid, anhydride

List II Chemical: A chemical, other than a List I chemical, specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act. (21 eCFR 1310.02)

Regulation (EC) No 178/2002 (amended)

Acetic acid, 1,1'-anhydride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 1,1'-anhydride 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)

Status: Active Update: 08-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15314

Acetic anhydride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Acetic acid, anhydride: Environment tier I assessment
DOT LabelCorrosive Flammable Liquid
Fire Hazards · 3건

Special Hazards of Combustion Products: Irritating vapors are generated when heated.

· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.

Flammable. Many reactions may cause fire or explosion. See Chemical dangers Above 49 °C explosive vapour/air mixtures may be formed.

Fire PotentialA fire and exposion hazard when exposed to heat or flame.
Health Hazards · 2건

Liquid is volatile and causes little irritation on uncovered skin. However, causes severe burns when clothing is wet with the chemical or if it enters gloves or shoes. Causes skin and eye burns and irritation of respiratory tract. Nausea and vomiting may develop after exposure. (USCG, 1999)

· CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:

Use alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water.

First Aid Measures · 4건

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Wear protective gloves when administering first aid. Refer immediately for medical attention.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer immediately for medical attention.

Rinse mouth. Do NOT induce vomiting. Give nothing to drink. Refer immediately for medical attention.

Accidental Release Measures · 2건

· 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 damaged containers or spilled material unless wearing appropriate protective clothing.

First Aid · 3건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

(General first aid procedures)

Safe StorageStore only in original container. Separated from food and feedstuffs and incompatible materials. See Chemical Dangers. Fireproof. Dry.
Firefighting Hazards · 2건

Hazardous decomposition products formed under fire conditions. - Carbon oxides

Flash back along vapor trail may occur.

독성 정보

Interactions · 1건

Aerosol of acetic acid and acetic anhydride was released for a reactor in an industrial accident exposing workers. All exposed workers complained of severe conjunctival and naso-pharyngeal irritation, harsh cough, and some dyspnea. Of the 18 workers exposed, 14 were admitted to the hospital showing intense conjunctivities and acute pharyngo-laryngitis. Twelve showed numerous corneal abrasions, 11 presented necrotic areas in the nasal mucosa, and 12 showed spastic bronchitis. Two workers suffered first and second degree burns on the legs. Complete recovery occurred in 5-25 days.

Target OrgansEyes, skin, respiratory system
Ecotoxicity ValuesEC50; Species: Chlorococcales (Green Algae Order); Conditions: freshwater, static; Concentration: 200000 ug/L for 24 hr; Effect: physiology, assimilation efficiency /formulation/
Environmental Fate · 5건

TERRESTRIAL FATE: Acetic anhydride is expected to hydrolyze on moist soil to acetic acid(SRC). The half-life for the hydrolysis of acetic anhydride is 4.4 minutes(SRC), based on a rate constant of 0.002625 1/sec at 25 °C(1). The potential for volatilization of acetic anhydride from dry soil surfaces may exist(SRC) based upon a vapor pressure of 5.1 mm Hg(2).

TERRESTRIAL FATE: When spilled onto /dry/ soil, acetic anhydride will readily infiltrate downward ...

AQUATIC FATE: Acetic anhydride is expected to undergo rapid hydrolysis in the environment given a hydrolysis half-life of 4.4 minutes(SRC), based on a rate constant of 0.002625 1/sec at 25 °C(1). Bioconcentration of acetic anhydride in aquatic organisms is unlikely due its rapid hydrolysis(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), acetic anhydride, which has a vapor pressure of 5.1 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase acetic anhydride is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 190 days(SRC), calculated from its rate constant of 8.4X10-14 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Acetic anhydride does not absorb light with wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

ATMOSPHERIC FATE: Since acetic anhydride is a relatively non-volatile liquid, direct venting of the vapor to the atmosphere from a hole in a ruptured vessel does not consitiute a significant hazard downwind. Vapor may be released from a liquid pool spilled on a ground or water surface.

Adverse EffectsDermatotoxin - Skin burns.
Exposure Routes · 2건

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.

inhalation, ingestion, skin and/or eye contact

규제 정보

FDA RequirementsFood additives permitted for direct addition to food for human consumption. Food starch may be esterified by treatment with ... acetic anhydride. Limitation: acetyl groups in food starch-modified not to exceed 2.5 percent.
FIFRA Requirements · 2건

Residues of acetic anhydride 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: solvent, cosolvent.

Residues of acetic anhydride 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: solvent, cosolvent, stabilizer.

Atmospheric Standards · 1건

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Acetic anhydride is produced, as an intermediate or a final product, by process units covered under this subpart.

CERCLA Reportable Quantities · 1건

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV.D.3.b).

Clean Water Act Requirements · 1건

Acetic anhydride is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.

안전 데이터

OEL
Ceiling: 5 ppm (20 mg/m3)
wgk
3
IDLA
200 ppm
tsca
TSCA listed
rtecs
AK1925000
ridadr
UN 1715

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Uses · 6건

Used to manufacture cellulose acetate fibers, plastics, pharmaceuticals, dyes, perfumes, explosives, and food starches; [ACGIH]

For acetic anhydride (USEPA/OPP Pesticide Code: 044007) there are 0 labels match. /SRP: Not registered for current 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./

Manufacture of acetyl compounds, cellulose acetates. As acetulizer and solvent in examining wool fat, glycerol, fatty and volatile oils, resins; detection of rosin. Widely used in organic synthesis, e.g., as dehydrating agent in nitrations, sulfonations and other reactions where removal of water is necessary. In preparation of anhydrous acetic acid in nonaqueous titrimetry.

Cellulose acetate fibers and plastics; vinyl acetate; dehydrating and acetylating agent in production of pharmaceuticals, dyes, perfumes, explosives. ... Esterifying agent for food starch (5% max).

Pesticide intermediate.

For more Uses (Complete) data for Acetic anhydride (6 total), please visit the HSDB record page.

Impurities · 2건

A technical quality anhydride, assay ~97% maximum, often contains color bodies, heavy metals, phosphorus, and sulfur compounds. Anhydride manufactured by acetic acid pyrolysis sometimes contains ketene polymers, eg, acetylacetone, diketene, dehydroacetic acid, and particulate carbon, or soot, is occasionally encountered. Polymers of allene, or its equilibrium mixture, methylacetylene-allene, are reactive and refractory impurities, which if exposed to air, slowly autoxidize to dangerous peroxidic compounds.

Less than 1 ppm of Al, Cl, PO4, SO4, Fe

U.S. Exports · 3건

(1972) NEGLIGIBLE

(1975) No Data

(1984) 1.39X10+10 g

U.S. Imports · 2건

(1972) 1.59X10+9 G

(1975) 8.88X10+9 G

U.S. Production · 5건

2023: 2,500,000,000 - <4,000,000,000 lb

(1972) 7.14X10+11 G

(1975) 6.62X10+11 G

Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Acetic acid, 1,1'-anhydride. National Production Volume: 1,000,000,000 - 5,000,000,000 lb/yr.

Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Acetic acid, 1,1'-anhydride:

Consumption Patterns · 4건

95% FOR CELLULOSE ESTERS (INCLUDING CELLULOSE ACETATE, ACETATE BUTYRATE, AND ACETATE PROPIONATE); 1% FOR SYNTHESIS OF ASPIRIN; 4% FOR MISC APPLICATIONS (1972)

90% Cellulose acetate and triacetate; 2% cellulose acetate propionate and butyrate; 3% aspirin and acetaminophen; 2% triactin, 3% other (1983 est)

CHEMICAL PROFILE: Acetic Anhydride. Cellulose acetate, 80%; miscellaneous, including aspirin and acetaminophen, agricultural chemicals, pharmaceuticals, plastics, starch modifiers, triacetin and other anhydrides, 16%; exports, 4%.

CHEMICAL PROFILE: Acetic anhydride. Demand: 1988: 1,730 million lb; 1989: 1,750 million lb; 1993 /projected/: 1,910 million lb. (1988 figure includes imports of 39.2 million lb, much of which was brought in by Hoechst Celanese in response to the outage at Pampa; imports are historically negligible. Figures include exports.)

응용 분야 · 5건

용도초산셀룰로즈의 제조, 유기약품의 아세틸화제, 염료, 향료, 합성수지의 제조, 아스피린, 기타 약품, 초산에스테르류, 유기합성원료, 사진필름(불연성) 등에 사용.

개요Acetic anhydride (chemical formula: (CH3CO)2O) is the simplest isolable anhydride of a carboxylic acid, is widely used as a reagent in organic synthesis. It has an internal asymmetric structure, leading to its potent electrophilicity. In organic chemistry, it is mainly used in acetylation for the manufacture of commercially significant materials, e.g. it can be used for the conversion of cellulose to cellulose acetate and aspirin. It can also be used as a wood preservative. In starch industry, it is a common acetylation compound for acetylation of monoglyceride. It is also an esterification agent for the production of modified starches. It is produced by carbonylation of methyl acetate or the reaction between ketene and acetic acid.

출처Reported found in watercress (Nasturtium officinale r. br.).

용도Acetic anhydride is an important solvent and acetylation agent. It is used for the manufacture of acetylcellulose, acetylsalicylic acid, acetanilide, nitrofurane, sulfonamides, vitamin B6 etc. As acetulizer and solvent in examining wool fat, glycerol, fatty and volatile oils, resins; detection of rosin. Widely used in organic syntheses, e.g., as dehydrating agent in nitrations, sulfonations and other reactions where removal of water is necessary.

일반 설명A clear colorless liquid with a strong odor of vinegar. Flash point 129°F. Corrosive to metals and tissue. Density 9.0 lb /gal. Manufacture of cellulose esters, plastics, pharmaceuticals, photographic films, cigarette filters, and magnetic tape; inorganic synthesis as an acetylating agent, bleaching agent, and dehydrating agent.

상·하류 제품 정보

하류 제품

(2R,3R)-2-Amino-3-methylpentanoic acid2-cyano-N-methyl-N-[(methylamino)carbonyl]acetamideDL-THREO-2-ACETAMIDO-L-(4-니트로페닐)-L,3-프로판디올N-Acetyl-L-glutamine1,3-Dimethyl-8-nitro-1H-purine-2,6(3H,9H)-dione ,97%비타민 E아세틸리시놀산메틸에스테르아세틸모르폴린2-ACETYLAMINO-5-BROMO-6-METHYLPYRIDINE마그네슘 아세트산6-(ACETYLAMINO)-2-PYRIDINECARBOXYLIC ACIDN-(2-METHOXY-4-NITROPHENYL)ACETAMIDE

공급사4 곳

Aladdin Scientific[email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: Acetic anhydride is an acyclic carboxylic anhydride derived from acetic acid. It has a role as a metabolite and a reagent.

관련 반응

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