Acetamide

HCID 178CAS 60-35-5

기본 정보

표준 SMILES
CC(N)=O
InChIKey
DLFVBJFMPXGRIB-UHFFFAOYSA-N
분자식
C2H5NO
평균 분자량
59.07 g/mol
단동위원소 질량
59.03711378

개요

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

이름 및 식별자

우선 이름
Acetamide
IUPAC
acetamide
현지명
아세트아마이드
영어명
Acetamide
분자식
C2H5NO
분자량
59.07

이름 및 동의어

acetamide60-35-5EthanamideAcetic acid amideMethanecarboxamideAcetimidic acidEthanimidic acidAmid kyseliny octoveNCI-C02108CH3CONH2DTXSID7020005AI3-02060
이름 더 보기
아세트아마이드아세트아미드아세트산아미드에탄아미드메탄카르복스아미드아세타마이드에타나미드AcetamidAMIDE C2ActamideAcetamidumAcetoamideAcetylamide
8XOE1JSO29NSC 25945NSC-25945DTXCID505FEMA NO. 4251CHEBI:27856CHEBI:49028acetamido

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
-0.9
극성 표면적
43.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
4

실험 및 물리화학적 성질

Chemical Classes · 3건

Hazardous Air Pollutants (HAPs)

Nitrogen Compounds -> Other Nitrogen Compounds

Carcinogens

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

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

물리화학적 성질

녹는점
78 · 78-80 °C(lit.)
끓는 점
221 °C · 221 °C(lit.)
밀도
1.159 · 1.159
증기압
1 mm · 1 mm Hg ( 65 °C)
굴절률
1.4274 · 1.4274
인화점
220 · 220-222°C
화학적 성질 · 1건

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.

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 5건

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 · 2건

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 · 2건

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]

안전 및 보호

Fire Fighting · 2건

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 · 4건

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 · 1건

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 · 4건

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 · 5건

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/

독성 정보

Interactions · 1건

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 · 3건

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 · 1건

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.

규제 정보

Atmospheric Standards · 2건

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 · 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 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).

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
AB4025000
ridadr
UN 3077 9/PG 3
독성
LD50 orally in Rabbit: 7000 mg/kg
HS 번호
29241900

화학 및 산업

약리 정보

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 · 3건

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 · 2건

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

용도 및 제조

Uses · 6건

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 · 3건

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 · 2건

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
응용 분야 · 5건

개요아세트 아미드는 아세트산으로부터 유도 된 아미드이다. 순수한 생성물은 실온에서 백색 결정질 고체이며, 아세트산 암모늄의 탈수에 의해 수득 될 수있다. 그것은 가소제 및 유기 합성의 중요한 원료로 사용됩니다.

용도"1. 용융 아세트 아미드는 다양한 유기 및 무기 물질을위한 우수한 용매입니다. 섬유 산업에서 염료로 사용되는 용제 및 용해제와 같이 수용성이 낮은 물질을 물에 용해시킬 때 용해 보조제로 사용할 수 있습니다. 또한 가소제의 안정제, 화장품 산업의 제산제, 제지 산업의 습윤제 및 chloramphenicol과 같은 항생제 합성 용제로 널리 사용됩니다. 2. 분석 시약, 용제, 안정제, 가소제로 사용됩니다. 또한 유기 합성, 제약 산업, 염료 제조에도 사용할 수 있습니다. 3. 흡습제, 윤활제 등의 제조에도 사용됩니다."

개요Acetamide (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.

용도Acetamide 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.

일반 설명Colorless crystals with a mousy odor (NTP, 1999). Low toxicity.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

관련 반응

439건

연결된 노트

불러오는 중…