Acetamide

HCID 178CAS 60-35-5

基本情報

標準SMILES
CC(N)=O
InChIKey
DLFVBJFMPXGRIB-UHFFFAOYSA-N
分子式
C2H5NO
平均分子量
59.07 g/mol
単同位体質量
59.03711378

概要

Acetamide can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

名称と識別子

優先名称
Acetamide
IUPAC
acetamide
現地名
アセトアミド
英語名
Acetamide
分子式
C2H5NO
分子量
59.07

名称と別名

acetamide60-35-5EthanamideAcetic acid amideMethanecarboxamideAcetimidic acidEthanimidic acidAmid kyseliny octoveNCI-C02108CH3CONH2DTXSID7020005AI3-02060
名称をさらに表示
アセトアミド1-ヒドロキシエタンイミンエタンアミド酢酸アミドアセトイミド酸1-イミノエタノールメチルホルムアミドアセトアミド, 99%アセトアミドAcetamidAMIDE C2ActamideAcetamidumAcetoamideAcetylamide
8XOE1JSO29NSC 25945NSC-25945DTXCID505FEMA NO. 4251CHEBI:27856CHEBI:49028acetamido

データベース識別子

CAS
60-35-5
PubChem CID
178
DTXSID
DTXSID7020005
ChEMBL
CHEMBL16081
ChEBI
CHEBI:27856
UNII
8XOE1JSO29
EC Number
200-473-5
Nikkaji
J2.339F

物性

構造計算による物性

XLogP
-0.9
極性表面積
43.1 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
0
重原子数
4

実験および物理化学的性質

Chemical Classes · 3 件

Hazardous Air Pollutants (HAPs)

Nitrogen Compounds -> Other Nitrogen Compounds

Carcinogens

DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP · 4 件

log Kow = -1.26

-1.26

-1.26

-1.05

OdorOdorless when pure, but frequently has a mousy odor
TastePure acetamide has a bitter taste

物理化学的性質

融点
78 · 78-80 °C(lit.)
沸点
221 °C · 221 °C(lit.)
比重(密度)
1.159 · 1.159
蒸気圧
1 mm · 1 mm Hg ( 65 °C)
屈折率
1.4274 · 1.4274
闪点
220 · 220-222°C
化学的性質 · 1 件

化学的特性Acetamide occurs as hexagonal colourless deliquescent crystals with a musty odour. It is incompatible with strong acids, strong oxidising agents, strong bases, and triboluminescent materials. Acetamide is used primarily as a solvent, a plasticiser, and a wetting and penetrating agent. Workplace exposures to acetamide are associated with the plastic and chemical industries.

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H351: Suspected of causing cancer [Warning Carcinogenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Warning

H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 5 件

Chemical: Acetamide

Hazard Traits - Carcinogenicity; Dermatotoxicity

Status: Active Update: 26-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17464

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

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Acetamide: Environment tier I assessment
Fire Hazards · 2 件

The flash point of this chemical has not been determined, but it is probably combustible. (NTP, 1992)

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Fire PotentialThis substance is a combustible solid.
Health HazardsSYMPTOMS: Exposure to this compound may cause irritation to the eyes, skin and mucous membranes.
Hazards Summary · 2 件

Acetamide is used primarily as a solvent and a plasticizer. Workers may be exposed in the plastics and chemical industries. It causes mild skin irritation from acute (short-term) exposure. No information is available on the chronic (long-term), reproductive/developmental, or carcinogenic effects of acetamide in humans. EPA has not classified acetamide for carcinogenicity.

There are no human data, but long-term feeding studies in rats using high doses of acetamide (up to 5% in diet) produced liver damage and hepatocellular carcinomas. . . . high doses producing maternal toxicity may cause developmental toxicity. The acute toxicity after ingestion is relatively low: an LD50 of 1000-7000 mg/kg in rats and mice; [ACGIH] A skin and eye irritant; [ICSC]

安全と保護具

Fire Fighting · 2 件

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Use water spray, powder.

First Aid Measures · 4 件

Fresh air, rest.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Refer for medical attention .

First Aid · 1 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.

Safe StorageDry. Well closed.
Fire Fighting Procedures · 4 件

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical, or carbon dioxide.

Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.

Use dry chemical, carbon dioxide, water spray, or alcohol foam extinguishers. ... If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position.

The only respirators recommended for firefighting are self-contained breathing apparatuses that have full face-pieces and are operated in a pressure-demand or other positive-pressure mode.

Storage Conditions · 5 件

Keep container tightly closed in a dry and well-ventilated place. Moisture sensitive.

Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

Should be stored in a cool, well-ventilated area. Store in a dry area away from water because of deliquescent properties. Sources of ignition, such as smoking and open flames, are prohibited where this chemical is used, handled, or stored in a manner that could create a potential fire explosion hazard.

PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

毒性情報

Interactions · 1 件

Two groups of 40 male wistar rats were fed diets containing 2.5% acetamide or 2.5% acetamide + 5.6 l-arginine, & 2 groups of 15 males were fed diet containing 5.6% arginine glutamate or a control diet for 1 yr. In 2/8 rats fed acetamide ... hepatomas ... were observed; 7/16 rats fed acetamide for 1 yr and maintained on control diet for further 3 MO developed liver tumors. In contrast, 1/11 rats that received acetamide + arginine glutamate for 1 yr and control diet for 3 MO had hyperplastic liver nodules. No liver tumors occurred in control group nor in rats fed 5.6% arginine glutamate alone.

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), a Koc value of 5(SRC) indicates that acetamide is expected to have very high mobility in soil(SRC). Volatilization of acetamide from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.0X10-9 atm-cu m/mole(SRC), derived from its vapor pressure, 0.0182 mm Hg(3), and water solubility, 7.05X10+5 mg/L(4). Acetamide is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure. A 69% of theoretical BOD in 2 weeks using activated sludge in the Japanese MITI test(5) and a 69% of theoretical degradation in a 10-day window of an OECD 301D Closed Bottle test(3) indicates that biodegradation is an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), a Koc value of 5(2) indicates that acetamide is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.0X10-9 atm-cu m/mole(SRC), derived from its vapor pressure, 0.0182 mm Hg(3), and water solubility, 7.05X10+5 mg/L(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow of -1.26(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 69% of theoretical BOD in 2 weeks using activated sludge in the Japanese MITI test(8) and a 69% of theoretical degradation in a 10-day window of an OECD 301D Closed Bottle test(3) indicates that biodegradation is an important environmental fate process in water(SRC). Results of hydrolysis studies indicate the hydrolysis half-life of acetamide at 25 °C and pH 7 is 3,440 to 3,950 years(9,10).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), acetamide, which has a vapor pressure of 0.0182 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase acetamide 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 7.6 days(SRC), calculated from its rate constant of 2.1X10-12 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). Acetamide does not absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Food Survey ValuesOver-oxidized wine can contain acetamide.
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol.
Toxicity Summary · 1 件

IDENTIFICATION AND USE: Acetamide is a solid. It is used as a solvent and stabilizer, accelerator in the estimation of bilirubin, antidote against monofluoroacetamide poisoning, and humectant for paper. HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: When acetamide was administered at a concentration of 5% in the diet to 99 male rats, with 2 rats returned to a control diet each week, liver tumors were found after treatment for 14-40 weeks in 22/81 rats. Acetamide-treated rats developed neoplastic nodules and hepatocellular carcinomas. The incidence, speed of onset, and frequency of metastases were greater in males than in females. Acetamide had the least toxic effects in regards to teratogenicity and embryotoxicity, compared to its derivatives. Acetamide produced morphological transformation in Syrian hamster embryo cells without metabolic activation. ECOTOXICITY STUDIES: Acetamide exhibited a selective damaging action on Entosiphon sulcatum.

法規制情報

Atmospheric Standards · 2 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. Acetamide is produced, as an intermediate or a final product, by process units covered under this subpart.

Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Acetamide is included on this list.

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 100 lb or 45.4 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).

安全データ

F
3
wgk
1
tsca
TSCA listed
rtecs
AB4025000
ridadr
UN 3077 9/PG 3
毒性
LD50 orally in Rabbit: 7000 mg/kg

化学と産業

薬理情報

Biological Half-LifeThe half life of radioactivity in blood after intravenous dosing of (14)C acetamide to rats averaged 20.6 + or - 0.3 hr after a 10 mg/kg bw dose and 16.1 + or - 1.6 hr after a 50 mg/kg bw dose.
Metabolism/Metabolites · 3 件

Acetamide ... was found in small amt in human urine as metabolite of metronidazole.

Metabolism of metronidazole to acetamide was apparently mediated by intestinal flora.

Acetamide is carcinogenic in rats and mice. To clarify the mechanism of carcinogenesis by acetamide, we investigated DNA damage by andacetamide metabolite, acetohydroxamic acid (AHA), using 32P-5'-end-labeled DNA fragments. AHA treated with amidase induced DNA damage in the presence of Cu(II) and displayed a similar DNA cleavage pattern of hydroxylamine. DNA damage was inhibited by both catalase and bathocuproine, suggesting that H2O2 and Cu(I) are involved. Carboxy-PTIO, a specific scavenger of nitric oxide (NO), partially inhibited DNA damage. The amount of 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxodG) by amidase-treated AHA was similar to that by hydroxylamine. ESR spectrometry revealed that amidase-treated AHA as well as hydroxylamine generated NO in the presence of Cu(II). From these results, it has been suggested that AHA might be converted into hydroxylamine by amidase. These results suggest that metal-mediated DNA damage mediated by amidase-catalyzed hydroxylamine generation plays an important role in the carcinogenicity of acetamide.

Absorption, Distribution and Excretion · 2 件

The volume of distribution was about 1 mL/g, total body clearance was 0.27 mL/min and renal clearance was 0.19 mL/min. Approximately 64 72% of (14)C acetamide was excreted in the urine, while only 0.5 0.8% appeared in exhaled air during the first 6 hr after dosing. Thus, approximately 30% of the administered dose was not recovered and it was suggested that metabolized acetamide enters the acetate pool.

Less than 0.07% of the recovered urinary radioactivity in rats given 100 or 1000 mg/kg bw (14)C acetamide coeluted upon high performance liquid chromatography with an N-hydroxyacetamide standard and this hydroxamic acid could not be detected after incubation of acetamide with rat liver microsomes and NADPH or in primary cultures of rat hepatocytes. (14)C Acetamide does not bind covalently to proteins in the presence of rat liver microsomes and NADPH or cytosolic fraction, whereas hepatocyte cultures contained non extractable radioactivity. This association was inhibited by cycloheximide to the same extent as (14)C acetate incorporation into cellular proteins.

Cellular LocationsCytoplasm

用途と製造

Uses · 6 件

Acetamide is used as a solvent, plasticizer, and a wetting and penetrating agent.

Used as a solvent, plasticizer, stabilizer, humectant for paper, hygroscopic agent, wetting agent, penetrating agent, and denaturant of alcohol; Also used in lacquers, explosives, and soldering fluxes; [HSDB] Used as a solvent in the following applications: plasticizers, lacquers, explosives, soldering flux, wetting agents, and synthesis of other agents; [ACGIH]

Soldering [Category: Heat or Machine]

Solvent; molten acetamide is an excellent solvent for many organic and inorganic compounds. Solubilizer; renders sparingly soluble substances more soluble in water by mere addition or by fusion. Plasticizer; stabilizer. Manufacture of methylamine, denaturing alcohol. In organic synthesis.

Organic synthesis (reactant, solvent, peroxide stabilizer), general solvent, lacquers, explosives, soldering flux, hygroscopic agent, wetting agent, penetrating agent.

It suppresses acid buildup in printing inks, lacquers, explosives, and perfumes. It is a mild moisturizer and is used as a softener for leather, textiles, paper, and certain plastics. ... Acetamide and substituted acetamide-containing thiourea can be used for treatment of herpes viruses. Derivatives can also be used as feeding behavior modifiers.

Methods of Manufacturing · 3 件

Prepared by fractional distillation of ammonium acetate.

Interaction of ethyl acetate and ammonium hydroxide.

Acetamide can be produced by several methods. Ammonia reacts vigorously with acetyl halides or acetic anhydride to produce acetamide. Alkyl acetates also react with ammonia to yield acetamide. Dehydration of ammonium acetate is the standard procedure for preparation of acetamide. Finally, acetonitrile is hydrolyzed to yield acetamide in the presence of an acid or base catalyst.

Formulations/Preparations · 2 件

In 1963 ... available in USA as technical grade (99% minimum acetamide and 0.3% maximum free acid) and as chemically pure, odorless grade (99.5-99.9% acetamide and trace of free acid).

Grades: Technical; CP /chemically pure: a grade designation signifying a minimum of impurities, but not 100% purity/ (odorless); intermediate; reagent.

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationAcetamide: ACTIVE
応用分野 · 7 件

解説アセトアミド(酢酸アミド)は、潮解性のある無色の六角形の結晶である。若干の刺激性があるが、毒性は低い。融点81 ℃,沸点222 ℃,105 ℃(1.33 kPa).d4201.159.nD781.4274.Kb 3.1×10-15(25 ℃).塩化アセチル、無水酢酸、酢酸エステルのいずれかとアンモニアとの反応(アンモノリシス)で得られる。工業的には酢酸アンモニウムの熱分解で合成される。水によく溶けるほか、エタノール(エチルアルコール)、クロロホルム、グリセリンなどに可溶。エーテルにはほとんど溶けない。酸またはアルカリで加水分解すれば酢酸とアンモニアに、五酸化リンで脱水するとアセトニトリルになる。溶けたアセトアミドは多くの無機および有機化合物の優れた溶媒となる。水に難溶の物質が、アセトアミドの添加により、水に溶けやすくなることを利用し、溶解促進剤として用いられる。

用途医薬品原料、有機合成原料

用途有機合成試薬溶剤、過酸化物安定剤、溶剤

説明Acetamide (MEA or ethanamide), the amide of acetic acid, is a white crystalline solid in pure form with a mousy odor. Low toxicity. It is produced by dehydrating ammonium acetate. Acetamide is found in red beetroot. Acetamide is used primarily as a solvent, plasticizer, and a wetting and penetrating agent. it was used as an intermediate in the synthesis of methylamine, thioacetamide, hypnotics, insecticides, medicinals and various plastics, a soldering flux ingredient, a wetting agent and penetration accelerator for dyes, and as a plasticizer in leather, cloth and coatings. ethanolamine is an amide made from acetamide and monoethanolamine. It is a clear liquid. In cosmetics and personal care products, It is used in the formulation of bubble baths, hair conditioners, shampoos, wave sets, moisturizers, and other bath and hair care products.It increases the water content of the top layers of the skin by drawing moisture from the surrounding air. It also enhances the appearance and feel of hair, by increasing hair body, suppleness, or sheen, or by improving the texture of hair that has been damaged physically or by chemical treatment.

使用Acetamide is often used as plasticizer and as industrial solvent. molten acetamide is an excellent solvent for many organic and inorganic compounds. Solubilizer. renders sparingly soluble substances more soluble in water by mere addition or by fusion. stabilizer. manufacture of methylamine, denaturing alcohol. In organic syntheses. Acetamide is used as a co-monomer in the production of polymeric materials such as polyvinyl acetamide, a polymeric product used as an absorbent. It can be used for the transamidation of carbxamides in 1,4-dioxane in the absence of a catalyst.

一般的な説明Colorless crystals with a mousy odor (NTP, 1999). Low toxicity.

使用用途アセトアミドは、別名を「酢酸アミド」といい、主に有機合成試薬の溶媒として使われています。有機合成試薬とは、酸化剤・還元剤をはじめ、縮合剤やハロゲン化試薬、保護剤、光学活性体・光学分割剤、有機金属試薬などを指します。 室温では固体ですが、81℃以上で融解し液体となり、この溶融アセトアミドが様々な化合物を溶かす溶媒となります。例えばアセトアミドは、酸化剤・還元剤をはじめ、縮合剤やハロゲン化試薬、保護剤、光学活性体・光学分割剤、有機金属試薬など、有機合成に使用される有機・無機化合物をよく溶かします。 また、アセトアミドは、不安定かつ反応性が高いとされる過酸化物の安定剤としても使われています。

調製方法 · 1 件

純化方法Acetamide is crystallised by dissolving in hot MeOH (0.8mL/g), diluting with Et2O and allowing to stand [Wagner J Chem Edu 7 1135 1930]. Alternate crystallisation solvents are acetone, *benzene, chloroform, dioxane, methyl acetate or *benzene/ethyl acetate mixtures (3:1 and 1:1). It has also been recrystallised from hot water after treating with HCl-washed activated charcoal (which had been repeatedly washed with water until free from chloride ions), then crystallised again from hot 50% aqueous EtOH and finally twice from hot 95% EtOH [Christoffers & Kegeles J Am Chem Soc 85 2562 1963]. Finally it is dried in a vacuum desiccator over P2O5. Acetamide is also purified by distillation (b 221-223o) or by sublimation in vacuo. It has also been purified by two recrystallisations from cyclohexane containing 5% (v/v) of *benzene. Needle-like crystals separate and are filtered, washed with a small volume of distilled H2O and dried with a flow of dry N2. [Slebocka-Tilk et al. J Am Chem Soc 109 4620 1987, Beilstein 2 H 175, 2 I 80, 2 II 177, 2 III 384, 2 IV 399.]

上流・下流製品情報

下流製品

3-Amino-4-pyridinecarboxyaldehyde hydrochloride4-Chloro-2,6-dimethyl-nicotinic acidセファクロル一水和物3-アミノイソニコチン酸3-アミノピコリン酸ベノリラート3-アミノイソニコチン酸メチル3-[(TERT-ブチルトキシカルボニル)アミノ]イソニコチン酸3-(9H-Fluoren-9-ylmethoxycarbonylamino)-isonicotinic acid2,4-ジメチルチアゾールフルオロ酢酸エチルEthyl 4-chloro-2,6-dimethylpyridine-3-carboxylate

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