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HCID 178761909생성일: 2026년 10월 27일

디아조화된자가결합자일리딘과결합된1,3-벤젠디올

디아조화된자가결합자일리딘과결합된1,3-벤젠디올 · Einecs 284-259-7 · 1,3-Benzenediol, coupled with diazotized self-coupled xylidine

https://huagongshe.com/ko/chemical/178761909

디아조화된자가결합자일리딘과결합된1,3-벤젠디올 분자 구조식

식별자 및 물리적 특성

CAS No.84836-74-8
분자식C6H6O2
평균 분자량110.11 g/mol
SMILESOc1cccc(O)c1
InChIKeyGHMLBKRAJCXXBS-UHFFFAOYSA-N
ChEMBLCHEMBL24147
ChEBICHEBI:27810
EC No.203-585-2
현지명디아조화된자가결합자일리딘과결합된1,3-벤젠디올

화학 및 물리적 성질

XLogP0.8
극성 표면적40.5
수소 결합 공여자 수2
수소 결합 수용자 수2
회전 가능 결합 수0
무거운 원자 수8
형식 전하0
복잡도64.9
물질 분류Other Classes -> Phenols
의약품Pharmaceuticals -> Listed in ZINC15
PolymersPlastics -> Light stabilisersPlastics -> Other functions -> Other stabiliserflame retardant
화장품Cosmetic ingredients (Resorcinol) -> CIR (Cosmetic Ingredient Review)Hair dyeing
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP(분배 계수)log Kow = 0.800.79-0.930.83
냄새Faint, characteristic odor
맛Sweetish taste followed by bitter taste
식품 첨가물FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도1.2 at 68 °F (USCG, 1999) - Denser than waterwill sink1.278 g/cu cm at 20 °CDensity of saturated air: 1.0739 (Air = 1)Percent in saturated air: 2.64% by volume (25 °C)Density, solid (g/cu cm20 °C): 1.278 (alpha-phase), 1.327 (beta phase)Density aqueous solution (5.0 mol/L, 20 °C): 1.1101 g/cu cm1.28 g/cm³1.27 at 68 °F
Flame RetardantsFlame retardants
향미제EU Flavoring substances

안전 및 규제

GHS 분류DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P308+P316, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
규제 정보Chemical: 1,3-BenzenediolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1,3-Benzenediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediol 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: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13740Resorcinol: Does not have an individual approval but may be used under an appropriate group standardThe 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.)
기타 안전 정보IMAP assessments - 1,3-Benzenediol: Human health tier II assessment
운송 라벨(DOT)Poison
화재 위험Behavior in Fire: Containers may explode. (USCG, 1999)· Combustible material: may burn but does not ignite readily.Combustible.
화재 가능성Combustible when exposed to heat or flame
건강 유해성Inhalation of vapors or dust causes irritation of respiratory tract. Ingestion causes burns of mucous membranes, severe diarrhea, pallor, sweating, weakness, headache, dizziness, tinnitus, shock, and severe convulsionsmay also cause siderosis of the spleen and tubular injury to the kidney. Contact with eyes causes irritation. Can be absorbed from wounds or through unbroken skin, producing severe dermatitis, methemoglobinemia, cyanosis, convulsions, tachycardia, dyspnea, and death. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death.
유해성 요약Resorcinol may cause methemoglobinemia after ingestion of large amounts. Rats develop increased liver weights in subchronic feeding studies. [ACGIH] Allergic contact dermatitis reported in hairdressers[Kanerva, p. 1833] Very irritating to the eyes and skin--may cause redness and painCan induce methemoglobinemia[ICSC] Danger of skin sensitization[MAK]
운송 번호 및 가이드(DOT)2876 153
FDA 요건Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: resorcinol is included in topical acne drug products.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: resorcinol is included in dandruff/seborrheic dermatitis/psoriasis drug products.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: resorcinol is included in topical antifungal drug products.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: resorcinol is included in anorectal drug products.Acne active ingredients. The active ingredient of the product consists of any of the following: ... Resorcinol, 2 percent, when combined with sulfur in accordance with section 333.320(a). ... Resorcinol monoacetate, 3 percent, when combined with sulfur in accordance with section 333.320(b).
반응성 그룹Phenols and Cresols
EC 분류Symbol: Xn, NR: 22-36/38-50S: (2)-26-61
UN 분류UN Hazard Class: 6.1UN Pack Group: III
소화Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Use water spray, powder.
응급 조치Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Give a slurry of activated charcoal in water to drink. Refer for medical attention .
누출 비상 조치· 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.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
응급 처치EYES: 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)
안전 보관Separated from incompatible materials and food and feedstuffs. See Chemical Dangers.
Firefighting HazardsWater may cause frothingSpecial hazards arising from the substance or mixture: Carbon oxides
노출 관리 및 개인 보호· Wear positive pressure self-contained breathing apparatus (SCBA).
소화 절차If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire (Material itself does not burn or burns with difficulty). Use water in flooding quantities as fog./Use/ water, foam, dry chemical, or carbon dioxideSuitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.
보관 조건Separated from incompatible materials and food and feedstuffs.Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Air and light sensitive.
정리 방법Environmental consideration: Water spill: Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Cover solids with a plastic sheet to prevent dissolving in rain or fire fighting water.Accidental Release Measures. Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. 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. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.
비화재 누출 대응Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
처리 방법Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U201, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 °C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 °C and residence times of seconds for liquids and gases, and longer for solids.Chemical Treatability of ResorcinolConcentration Process: Activated CarbonChemical Classification: PhenolsScale of Study: Batch Flow/Laboratory ScaleType of Wastewater Used: Pure CompoundInfluent Concentration: 100 ppbResults of Study: 100% reduction0% desorbed from carbon by elutriation with solvent (Calgon FS-300 used. Solvent included pentane-acetone, diethyl ether, methylene chloride-acetone, chloroform-acetone and acetone).Concentration Process: Resin AdsorptionScale of Study: Batch Flow/Laboratory Scale Type of Wastewater Used: Pure Compound60% desorbed from resin by elutriation with solvent (Amberlite XAD-2 used. Solvents included pentane-acetone, diethyl ether, methylene chloride-acetone, chloroform-acetone and acetone).For more Disposal Methods (Complete) data for RESORCINOL (9 total), please visit the HSDB record page.
상호 작용The micronucleus test using mouse bone marrow polychromatic erythrocytes was used to study the extent of which benzo(a)pyrene (BP) mutagenicity was inhibited by mixtures of simple phenols (resorcinol & pyrogallol) with & without the complex hindered-phenol antioxidant ... 2,6-di-tert-butyl-4-methylphenol. Mixtures of these phenolic compds inhibited benzo(a)pyrene mutagenicity more effectively than did the individual constituents. One can assume that the simple phenols regenerated in the presence of 2,6-di-tert-butyl-4-methylphenol from the tissue-oxidized forms incr the formation of detoxified or less mutagenic metabolites of benzo(a)pyrene.
표적 장기Eyes, skin, respiratory system, cardiovascular system, central nervous system, blood, spleen, liver, kidneys
생태독성 수치LC50Species: Pimephales promelas (fathead minnow)Concentration: 88.6 mg/L for 24 hr /Conditions of bioassay not specified/Concentration: 72.6 mg/L for 48 hr /Conditions of bioassay not specified/Concentration: 53.4 mg/L for 96 hr /Conditions of bioassay not specified/Species: Palaemonetes pugio (grass shrimp)Concentration: 170 mg/L for 24 hr /Conditions of bioassay not specified/For more Ecotoxicity Values (Complete) data for RESORCINOL (8 total), please visit the HSDB record page.
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), a Koc value of 10.36(2) indicates that resorcinol is expected to have very high mobility in soil(SRC). The pKa1 of resorcinol is 9.30(3), indicating that this compound will exist partially in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of resorcinol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 9.9X10-11 atm-cu m/mole(SRC), based upon its vapor pressure, 4.89X10-4 mm Hg(5), and water solubility, 7.17X10+5 mg/L(6). Resorcinol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(5). Utilizing the Japanese MITI test, 100% of the Theoretical BOD was reached in 2 weeks(7) indicating that biodegradation is an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), a Koc value of 10.36(2) indicates that resorcinol 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 9.9X10-11 atm-cu m/mole(SRC), derived from its vapor pressure, 4.89X10-4 mm Hg(4), and water solubility, 7.17X10+5 mg/L(5). As a class, phenols react relatively rapidly in sunlit natural water via reaction with photochemically produced hydroxyl radicals and peroxy radicals(6). According to a classification scheme(7), an estimated BCF of 3(SRC), from its log Kow of 0.80(8) and a regression-derived equation(9), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Utilizing the Japanese MITI test, 100% of the Theoretical BOD was reached in 2 weeks(10) indicating that biodegradation is an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), resorcinol, which has a vapor pressure of 4.89X10-4 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase resorcinol 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 1 hour(SRC), calculated from its rate constant of 2.0X10-10 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). The vapor-phase reaction of resorcinol with nitrate radicals may be an important atmospheric removal process in urban areas at night(4). Particulate-phase resorcinol may be removed from the air by wet and dry deposition(SRC). As a class, phenols react relatively rapidly in sunlit natural water via reaction with photochemically produced hydroxyl radicals and peroxy radicals(5). Therefore, resorcinol may be susceptible to direct photolysis by sunlight(SRC).
유해 작용Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
노출 경로The substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.inhalation, ingestion, skin and/or eye contact
독성 요약Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.orgIDENTIFICATION AND USE: Resorcinol is a white crystalline compound with a faint odor and bitter-sweet taste. It exists in at least two crystalline modifications. Crystalline resorcinol turns pale red in the presence of light and air and is hygroscopic. It is miscible in water. It is used in tanning, photographymanufacture of resins, resin adhesives, hexylresorcinol, p-aminosalicylic acid, explosives, dyes, tires, rubber productsin cosmeticsdyeing and printing textilesand as a reagent for zinc. It is not registered for current pesticide 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. Resorcinol is also a medication, used as an antifungal, antibacterial, mildly keratolytic and local irritant agent. It is a pharmaceutical agent used topically in dermatological treatments such as acne and related skin conditions. It could also be used in combination with the other acne treatment agents such as sulphur. HUMAN EXPOSURE AND TOXICITY: An application of 3-25% solution of resorcinol to skin may cause redness, itching, dermatitis, edema or corrosion of affected area. Potential symptoms of overexposure are irritation of eyes, skin, nose, throat, upper respiratory systemmethemoglobinemia, cyanosis, convulsionsrestlessness, bluish skin, increased heart rate, dyspneadizziness, drowsiness, hypothermia, hemoglobinuriaspleen, kidney, liver changes. ANIMAL STUDIES: Tests of 10% soln on rabbit eyes have caused pain, conjunctival inflammation, and vascularization of cornea. Dry, powdered resorcinol applied to rabbit eyes induced necrosis sufficient to cause perforation of cornea in some and extensive vascularization in others. A subcutaneous injection of 154 mg/kg in rats produced a thyroid disturbance (myxedema and goiter)an effect that did not occur when 50 mg/kg was injected. Resorcinol intake at 1000 mg/L via contaminated drinking water caused no detectable adverse effects on any reproduction or thyroid gland end points in rats. Groups of 10 male and female rats were given 0, 32, 65, 130, 260, or 520 mg/kg resorcinol by gavage 5 days/week for 13 weeks. Most animals given 520 mg/kg died. Daily doses of 65 mg/kg produced increased liver weights, but no other toxic effects were reported. Resorcinol showed no carcinogenic effect when tested by repeated skin application in mice and in 2-year gavage studies in rats and mice. Resorcinol was not mutagenic to Salmonella typhimurium strains TA1535, TA1537, TA98 or TA100 in presence or absence of rat liver postmitochondrial supernatant fraction.
생태독성 발췌/AQUATIC SPECIES/ Sea bass (Dicentrarchus labrax) were injected intraperitoneally once (single dose) or three times (fractionated dose) with phenol or OH-phenols (hydroquinone, resorcinol, and pyrocatechol). On the basis of the lethal doses, OH-phenols were more toxic than phenol, and pyrocatechol was the most powerful compound. Hematological, metabolic and antioxidant blood parameters were measured 3 days after the end of the treatment. Metabolic variations as specific effects on erythrocytes were revealed and differences between single and fractionated doses were observed. OH-phenols-treated fish showed disorders in the metabolic toxicity indicators as hypoglycemia, low blood urea nitrogen level (BUN) and decrease of alkaline phosphatase activity (ALP).
Plant ConcentrationsResorcinol was detected, not quantified in the wood of Morus alba L. (Moraceae), white mulberry(1). It is also been found in broad bean (Vicia faba), honey mushroom (Armillaria mellea), and in exudates of seedlings of the yellow pond lilly (Nuphar lutea). Resorcinol was detected in extracts of tobacco leaves(2).
Signs and SymptomsAbdominal pain. Blue lips, fingernails and skin. Confusion. Convulsions. Cough. Dizziness. Headache. Nausea. Sore throat. Unconsciousness.Redness. Pain.See Inhalation.irritation eyes, skin, nose, throat, upper respiratory systemmethemoglobinemiacyanosis, convulsionsrestlessness, bluish skin, increased heart rate, dyspnea (breathing difficulty)dizziness, drowsiness, hypothermia, hematuria (blood in the urine)spleen, kidney, liver changesdermatitis
Ongoing Test StatusEPA has released the first beta version (version 0.5) of the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The beta version of the iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assaysSee the data in Chemical Explorer/[USEPAICSS Dashboard ApplicationAvailable from, as of June 27, 2014: http://actor.epa.gov/dashboard/]The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from, as of October 1, 2014: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=108-46-3]
Effluent ConcentrationsThe concentration of resorcinol in the condensate water from a coal gasification facility in Grand Forks, ND ranged from not detected (no analytical detection limit reported) to 60 ppm between Jun 1980 and Apr 1982(1). A resorcinol level of 1000 ppm was detected in wastewater from a synthetic coal conversion process(2). Resorcinol has been found in effluents associated with coal gasification and conversion, coal-tar production and shale oil processing(3).
RCRA 요건U201As stipulated in 40 CFR 261.33, when resorcinol, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5).
대기 기준This 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. Resorcinol is produced, as an intermediate or a final product, by process units covered under this subpart.
CERCLA 보고 수량Persons 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).
청정수법 요건Resorcinol 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.
주 식수 지침(ME) MAINE 140 ug/L