Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
파라-(메틸아미노)_페놀
파라-(메틸아미노)_페놀 · p-메칠아미노페놀 · p-(메틸아미노)-페노 · 4-(methylamino)phenol · Phenol, 4-(methylamino)- · 4-(Methylamino) · 4-N-METHYLAMINOPHENOL · p-(methylamino)-pheno
식별자 및 물리적 특성
| CAS No. | 150-75-4 |
|---|---|
| 분자식 | C7H9NO |
| 평균 분자량 | 123.15 g/mol |
| 단동위원소 질량 | 123.06841391 g/mol |
| SMILES | CNc1ccc(O)cc1 |
| InChIKey | ZFIQGRISGKSVAG-UHFFFAOYSA-N |
| PubChem CID | 5931 |
| ChEMBL | CHEMBL1741003 |
| ChEBI | CHEBI:55416 |
| EC No. | 205-768-2 |
| DTXSID | DTXSID8043783 |
| 현지명 | 파라-(메틸아미노)_페놀 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 32.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 77 |
| 물질 분류 | Nitrogen Compounds -> Amino Phenols |
| 화장품 | Cosmetic ingredients (p-Methylaminophenol) -> CIR (Cosmetic Ingredient Review)Hair dyeing |
| LogP(분배 계수) | log Kow = 0.790.974 |
| Color/Form | Colorless needles |
| 용해도 | Soluble in alcohol, etherSlightly soluble in ethanolinsoluble in diethyl etherSolubility in water, g/100ml at 25 °C: 1.17 |
| 끓는 점 | 209-211 °C at 1.6 kPa262.7±23.0 °C(Predicted) |
| Decomposition | The substance decomposes on burning producing toxic fumes including nitrogen oxides. |
| 녹는점 | 87 °C |
| 증기압 | 0.05 [mmHg]3.07X10-3 mm Hg at 25 °C |
| Physical Description | Colorless solid[ICSC]COLOURLESS CRYSTALS. |
| 밀도 | 1.147±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 11.31±0.26(Predicted) |
| 헨리 상수 | 2.2×104 mol/(m3Pa) at 25℃, HSDB (2015) |
| 화장품 원료 기능 | 머리 염색 |
| InChI | InChI=1S/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3 |
| InChIKey | ZFIQGRISGKSVAG-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(NC)C=C1 |
| EPA | 4-(Methylamino)phenol (150-75-4) |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: Phenol, 4-(methylamino)- |
| 기타 안전 정보 | IMAP assessments - p-Methylaminophenol and its sulfate: Human health tier II assessment |
| 화재 위험 | Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air. |
| 화재 가능성 | Combustible. |
| 유해성 요약 | A mutagen[RTECS] A skin and eye irritantMay cause skin sensitizationMay have adverse effects on blood cells[ICSC] Emergency treatment: MethemoglobinemiaA skin and eye irritantMay cause allergic dermatitis[HSDB]The major hazards encountered in the use and handling of N-methyl-4-aminophenol stem from its toxicologic properties. Exposure to this colorless crystalline substance may occur through dermal contact or inhalation at sites where it is commercially produced or used. Exposure to N-methyl-4-aminophenol may cause eye and skin irritation, including a persistent allergic dermatitis. In case of contact, immediately flush skin or eyes with running water for at least 15 minutes. Contaminated clothing and shoes should be removed and isolated at the site. When engaged in emergency activities involving N-methyl-4-aminophenol, wear a self-contained breathing apparatus and chemical protective clothing specifically recommended by the shipper or producer. N-methyl-4-aminophenol does not ignite easily, however, it may burn producing irritating or poisonous gases. Also, containers of the substance may explode in the heat of a fire. For small fires involving N-methyl-4-aminophenol, extinguish with dry chemical, CO2, Halon, water spray, fog, or standard foam. Dike runoff from fire control water because it may give off poisonous gases and cause pollution. N-methyl-4-aminophenol may be shipped via air, rail, road, and water, in containers bearing the label, "Keep away from food." Prior to implementing permanent land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance. |
| UN 분류 | UN Hazard Class: 9UN Pack Group: III |
| Chemical Dangers | Decomposes on burning. This produces toxic fumes including nitrogen oxides. |
| Physical Dangers | Dust explosion possible if in powder or granular form, mixed with air. |
| DOT Emergency Guidelines | /GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Health: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Aminophenols//GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Aminophenols//GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. /Aminophenols//GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLYit is not effective in spill situations where direct contact with the substance is possible. /Aminophenols/For more DOT Emergency Guidelines (Complete) data for N-Methyl-4-aminophenol (8 total), please visit the HSDB record page. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4 |
| Shipment Methods and Regulations | No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article. |
| Shipping Name/ Number DOT/UN/NA/IMO | UN 2512AminophenolsIMO 6.1Aminophenols (o-,m-,p-). |
| 소화 | Use water spray, powder, alcohol-resistant foam, carbon dioxide. |
| 응급 조치 | Fresh air, rest. Refer for medical attention.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. Give one or two glasses of water to drink. |
| 소화 절차 | Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. /4-(Methylamino)phenol hemisulfate salt/Special protective equipment for fire-fighters: Wear self contained breathing apparatus for fire fighting if necessary. /4-(Methylamino)phenol hemisulfate salt/Powder, alcohol-resistant foam, water spray, carbon dioxide. |
| 보관 조건 | Store in cool place. Keep container tightly closed in a dry and well-ventilated place. /4-(Methylamino)phenol hemisulfate salt/ |
| 정리 방법 | SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.Personal precautions: Use personal protective equipment. Avoid dust formation. Avoid breathing dust. Ensure adequate ventilation. /4-(Methylamino)phenol hemisulfate salt/Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. /4-(Methylamino)phenol hemisulfate salt/Methods for cleaning up: Pick up and arrange disposal without creating dust. Keep in suitable, closed containers for disposal. /4-(Methylamino)phenol hemisulfate salt/Do NOT let this chemical enter the environment. Sweep spilled substance into covered containersif appropriate, moisten first to prevent dusting. |
| 처리 방법 | Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. Contact a licensed professional waste disposal service to dispose of this material. /4-(Methylamino)phenol hemisulfate salt/SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal and plant lifeand conformance with environmental and public health regulations. |
| 누출 처리 | Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. |
| Preventive Measures | Handling: Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire protection. /4-(Methylamino)phenol hemisulfate salt/In case of skin contact: Wash off with soap and plenty of water. Consult a physician. /4-(Methylamino)phenol hemisulfate salt/In case of eye contact: Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. /4-(Methylamino)phenol hemisulfate salt/Hygiene measures: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. /4-(Methylamino)phenol hemisulfate salt/For more Preventive Measures (Complete) data for N-Methyl-4-aminophenol (7 total), please visit the HSDB record page. |
| Eye Prevention | Wear safety goggles or eye protection in combination with breathing protection. |
| Fire Prevention | NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust. |
| Inhalation Risk | No indication can be given whether a harmful concentration in the air will be reached. |
| Skin Prevention | Protective gloves. Protective clothing. |
| 생태독성 수치 | LC50Species: GoldfishConcentration: 0.5 mg/L for 48 hr /Conditions of bioassay not specified in source/Species: Oncorhynchus mykiss (Rainbow trout, weight 1.2-3.8 g, length 4.6-6.4 cm)Conditions: freshwater, flow through, 14.1-16.5 °C, pH 7.60-8.19, alkalinity 86 mg/L CaCO3, dissolved oxygen 5.6-9.4 mg/LConcentration: 300 ug/L for 96 hrLD50Species: Oncorhynchus mykiss (Rainbow trout, weight 9.1-43.2 g, length 7.9-9.6 cm) oral (by gavage) 0.72 mmol/kgSpecies: Oncorhynchus mykiss (Rainbow trout, weight 9.0-30.4 g, length 7.0-9.9 cm) ip 0.58 mmol/kg |
| 환경 거동 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 110(SRC), determined from a structure estimation method(2), indicates that N-methyl-4-aminophenol is expected to have high mobility in soil(SRC). Volatilization of N-methyl-4-aminophenol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.4X10-10 atm-cu m/mole(SRC), using a fragment constant estimation method(3). N-Methyl-4-aminophenol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.1X10-3 mm Hg at 25 °C(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2009).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 110(SRC), determined from a structure estimation method(2), indicates that N-methyl-4-aminophenol 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 4.4X10-10 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 3.2(SRC), from an estimated log Kow of 0.79(SRC) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Aromatic amines in the water column may be susceptible to significant photooxidation via hydroxyl and peroxy radicalshalf-lives for these photooxidations may be on the order of 19-30 sunlight hours(7). Biodegradation data for N-methyl-4-aminophenol were not available(SRC, 2009).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), N-methyl-4-aminophenol, which has an estimated vapor pressure of 3.07X10-3 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase N-methyl-4-aminophenol 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 6.9 hours(SRC), calculated from its rate constant of 5.6X10-11 cu cm/molecule-sec at 25 °C(SRC), that was derived using a structure estimation method(3). N-Methyl-4-aminophenol contains chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC)typical half-lives for hydroxyl radical and peroxy radical reactions are on the order of 19-30 sunlight hours(5). |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| 노출 경로 | The substance can be absorbed into the body by ingestion. |
| 독성 요약 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| 생태독성 발췌 | /AQUATIC SPECIES/ The cytotoxicity of 12 chemicals to rainbow trout (Salmo gairdneri) cells (RTG-2) was determined in culture. The indicator of cytotoxicity was the inability of cells to attach to a growth surface after chemical exposure. From most toxic to least toxic, these chemicals were pentachlorophenol, p-methylaminophenol, 2,4-dichlorophenol, p-chlorophenol, p-cyanophenol, p-nitrophenol, benzene, p-methylphenol, aniline, phenol, p-methoxyphenol, and 1,2,4-trichlorobenzene. Cytotoxicity was significantly correlated to systemic toxicity in rainbow trout. |
| Signs and Symptoms | Redness.Redness. Pain. |
| ICSC Environmental Data | The substance is very toxic to aquatic organisms. |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc of N-methyl-4-aminophenol can be estimated to be 110(SRC). According to a classification scheme(2), this estimated Koc value suggests that N-methyl-4-aminophenol is expected to have high mobility in soil. |
| Human Toxicity Excerpts | /SIGNS AND SYMPTOMS/ Repeated or prolonged contact may cause skin sensitization. The substance may have effects on the blood, resulting in lesions of blood cells./SIGNS AND SYMPTOMS/ N-Methyl-p-aminophenol causes a persistence of allergic dermatitis./SURVEILLANCE/ During the period January 1980-June 1981, an investigation was made of skin diseases among employees of a film laboratory. The investigation was carried out in 5 stages. (I) Questionnaire (II) Clinical examination and interview with all employees who stated that they had had skin disease at some time (III) Patch testing at the laboratory of all cases of suspected occupational dermatoses, and control tests in hospital of 200 non-exposed eczema patients (IV) Investigation of protective gloves by patch testing and in a chemical bath (V) Allergy test on guinea pigs (GPMT) of one agent (PBA-1). The firm had 114 employees and the questionnaire was answered by 103. Altogether 43 persons at some time had been exposed to chemicals in their work, and 21 of them had had occupational dermatoses. In 12 cases, contact allergy was found to one or more of the photographic chemicals CD-2, CD-3, Metol and PBA-1. GPMT with PBA-1 showed it to be a potent sensitizer. The color developing agents may also give rise to lichenoid reactions and 2 such cases were seen in this investigation. Other causes of occupational dermatoses are indicated, as well as the occurrence of non-occupational skin diseases. |
| Artificial Pollution Sources | N-Methyl-4-aminophenol's production and use as in organic synthesis and as a photodeveloper(1) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | AEROBIC: The BOD of a five-day BOD test was 0.2 with a BOD/COD ratio of 0.17 for 4-methylaminophenol sulfate, a compound similar to 4-methylaminophenol. This salt proved to be strongly inhibitory to an unacclimated system at concentrations as low as 50 mg/Lacclimation of the biomass to the compound eliminated any inhibitory effects. The data indicated biodegradation of 4-methylaminophenol sulfate proceeded at a moderate rate(1). /4-Methylaminophenol sulfate/ |
| 운송 번호(UN) | 3077 |
| 포장분류 | III |
| 위험 등급 | 9 |
| 유해 물질 데이터 | 150-75-4 (Hazardous Substances Data) |
용도
용도
4-Hydroxy-N-methylaniline is a useful synthetic intermediate. It is used to synthesize arylidene amino azolones with anticancer activity. It is also used to prepare N-(4-hydroxyphenyl)retinamide analogs with antitumor and apoptosis-inducing activities.