Acetic Anhydride

HCID 7918CAS 108-24-7

基本情報

標準SMILES
CC(=O)OC(C)=O
InChIKey
WFDIJRYMOXRFFG-UHFFFAOYSA-N
分子式
C4H6O3
平均分子量
102.09 g/mol
単同位体質量
102.03169405

概要

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.

名称と識別子

優先名称
Acetic Anhydride
IUPAC
acetyl acetate
現地名
無水酢酸
英語名
Acetic anhydride
分子式
C4
分子量
102.09

名称と別名

ACETIC ANHYDRIDEAcetyl acetate108-24-7AcetanhydrideEthanoic anhydrideAcetyl oxideAcetyl anhydrideAcetic oxideAcetic acid, anhydrideacetic acid anhydrideAcetyl etherAnhydride acetique
名称をさらに表示
無水酢酸 (約1mol/Lジクロロメタン溶液)無水酢酸 [一般有機合成用]酢酸無水物アセチルアセタートビス酢酸無水物酢酸アセチル二酢酸無水物3-オキサペンタン-2,4-ジオンアセチルオキシド水酢酸無酢酢酸無水物 (約1mol/Lジクロロメタン溶液)無水酢酸 PURISS. P.A.,ACS REAGENT,≥99.0% (NT)キャップB1溶液 [無水酢酸-アセトニトリル(4:6)]無水酢酸, ACS, 97+%無水酢酸AC2Oacetic(CH3CO)2OAcetic Anhydride (Controlled Chemical)acetic anhydrid
Anidride aceticaOctowy bezwodnikAzijnzuuranhydrideEssigsaeureanhydridEthanoic anhydrateAnhydrid kyseliny octoveAcetic acid, 1,1'-anhydrideDTXSID0024395

データベース識別子

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

物性

構造計算による物性

XLogP
-0.1
極性表面積
43.4 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
2
重原子数
7

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Acid Anhydrides, Other

Corrosives

SpringerMaterials PropertiesSchoenflies notation
LogP · 2 件

-0.480

-0.27 (calculated)

Odor · 2 件

Strong acetic odor

Strong, pungent, vinegar-like odor

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

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

物理化学的性質

融点
-73.1 °C · -73.1 °C
沸点
140 °C · 140 °C
比重(密度)
1.087 · 1.087
蒸気密度
3.5 · 3.5 (vs air)
蒸気圧
10 mm · 10 mm Hg ( 36 °C)
屈折率
20 · n20/D 1.390(lit.)
化学的性質 · 2 件

化学的特性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.

化学性质アセチル化剤

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 6 件

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 · 3 件

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 · 2 件

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.

安全と保護具

Fire Fighting · 2 件

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 · 4 件

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

First Aid · 3 件

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 · 2 件

Hazardous decomposition products formed under fire conditions. - Carbon oxides

Flash back along vapor trail may occur.

毒性情報

Interactions · 1 件

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 · 5 件

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 · 2 件

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

inhalation, ingestion, skin and/or eye contact

法規制情報

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 · 2 件

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 · 1 件

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 · 1 件

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 · 1 件

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.

安全データ

F
21
OEL
Ceiling: 5 ppm (20 mg/m3)
wgk
3
IDLA
200 ppm
tsca
TSCA listed
rtecs
AK1925000

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Uses · 6 件

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 · 2 件

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 · 3 件

(1972) NEGLIGIBLE

(1975) No Data

(1984) 1.39X10+10 g

U.S. Imports · 2 件

(1972) 1.59X10+9 G

(1975) 8.88X10+9 G

U.S. Production · 5 件

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 · 4 件

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.)

応用分野 · 11 件

解説無水酢酸,酢酸の酸無水物。化学式(CH3CO)2O。融点-68℃,沸点140.0℃の強烈な刺激臭をもつ無色の液体。クロロホルム,エーテルなどの有機溶媒に易溶。皮膚に触れると水ぶくれを生じる。水と徐々に反応して酢酸になるが,無機酸が存在すると急激に反応する。また無機塩基と激しく反応して酢酸塩となる。第三アミンの存在下にアルコールと反応して酢酸エステルを生じ,アンモニアまたはアミンと反応してアセトアミドを生じる(アセチル化)。

用途酢酸エステル原料、染料等原料

用途酢酸繊維素の製造、アスピリン、その他薬品、香料、染料、酢酸エステル類、有機合成原料

用途アセチル化剤。コレステロールの定量。

用途汎用分析用試薬。薬品、香料、染料等の有機合成原料。

説明Acetic 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.

天然物の起源Reported found in watercress (Nasturtium officinale r. br.).

使用Acetic 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.

用途エーテルなどの有機溶媒に溶ける。アセチル化剤として広く使用され、セルロースをアセチル化してアセチルセルロースをつくるのに使われるほか、アスピリンなどの医薬、染料、クマリンなどの香料の合成に用いられる。特定麻薬向精神薬原料に指定されている。「氷酢酸」とよばれている水の含有量が低い高純度の酢酸とは別物である。

一般的な説明A 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.

使用用途無水酢酸は、有機化合物にアセチル基を導入するアセチル化のための広く用いられる薬品です。以下の反応において、無水酢酸はアセチル基(CH3CO−)の供給源として用いられています。 アルコール類やセルロースのアセチル化 無水酢酸とアルコールを反応させると酢酸エステルが得られます。例えば、と反応させると、が得られます。 (CH3CO)2O + CH3CH2OH → CH3CO2CH2CH3 + CH3COOH セルロースと無水酢酸を反応させることで、アセチルセルロースを得られます。アセチルセルロースは、タバコのフィルター製造、写真やフィルム、合成繊維やプラスチック、各種コーティング材などの用途で使用されています。 芳香族環のアセチル化 酸触媒を用いて反応を促進させ、芳香族環を無水酢酸でアセチル化します。例として、フェロセンからアセチルフェロセンへの変換があります。 (C5H5)2Fe + (CH3CO)2O → (C5H5)Fe(C5H4COCH3) + CH3COOH その他の酸無水物の調製 ジカルボン酸は、無水酢酸で処理すると無水物に変換されます。 また、無水酢酸を薄めて布や花びらなどを染める染料としても使用されています。この他にも、の製造、医薬、香料などでも利用されます。 近年では、LCD用偏光板保護フィルム向けとしての酢酸セルロースや、液晶ポリマー、ウレタン弾性繊維用など新しい分野に用途が拡大しています。

調製方法 · 2 件

合成方法ケテン法,カルボニル化法,アセトアルデヒド酸化法

純化方法Adequate purification can usually be achieved by fractional distillation through an efficient column. Acetic acid can be removed by prior refluxing with CaC2 or with coarse Mg filings at 80-90o for 5days, or by distillation from a large excess of quinoline (1% AcOH in quinoline) at 75mm pressure. Acetic anhydride can also be dried by standing with Na wire for up to a week, removing the Na and distilling it under vacuum. (Na reacts vigorously with acetic anhydride at 65-70o). Dippy & Evans [J Org Chem 15 451 1950] let the anhydride (500g) stand over P2O5 (50g) for 3hours, then decanted it and stood it with ignited K2CO3 for a further 3hours. The supernatant liquid was distilled and the fraction b 136-138o was further dried with P2O5 for 12hours, followed by shaking with ignited K2CO3, before two further distillations through a five-section Young and Thomas fractionating column. The final material distilled at 137.8-138.0o. It can also be purified by azeotropic distillation with toluene: the azeotrope boils at 100.6o. After removal of the remaining toluene, the anhydride is distilled [sample had a specific conductivity of 5 x 10-9 ohm-1cm -1]. [Beilstein 2 H 96, 2 I 39, 2 II 91, 2 III 134, 2 IV 94.] Rapid procedure: Shake with P2O5, separate, shake with dry K2CO3 and fractionally distil.

上流・下流製品情報

下流製品

D-イソロイシンシアノ-N-メチル-N-[(メチルアミノ)カルボニル]アセトアミド(1R,2R)-1-[4-ニトロフェニル]-2-(アセチルアミノ)-1,3-プロパンジオールN-アセチル-L-グルタミン1,3-Dimethyl-8-nitro-1H-purine-2,6(3H,9H)-dione ,97%ビタミンEO-アセチルリシノール酸 メチル4-アセチルモルホリン2-ACETYLAMINO-5-BROMO-6-METHYLPYRIDINE酢酸マグネシウム6-(ACETYLAMINO)-2-PYRIDINECARBOXYLIC ACIDN-(2-メトキシ-4-ニトロフェニル)アセトアミド

サプライヤー4 社

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]

補足説明

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

関連反応

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