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HCID 13101생성일: 2026년 10월 27일

N-(1,3-다이메틸뷰틸-N'-페닐-p-페닐렌디아민)

N-(1,3-다이메틸뷰틸-N'-페닐-p-페닐렌디아민) · N-(1,3-디메틸부틸-N""-페닐-p-페닐렌디아민) · N-(1,3-디메틸부틸-N'-페닐-p-페닐렌디아민) · 1,4-벤젠다이아민, N-(1,3-다이메틸뷰틸)-N'-펜일- · 1,4-벤젠다이아민, N-(1,3-다이메틸부틸)-N´-페닐- (CA-Index-Name) · 4-(다이메틸부틸아미노)다이페닐아민 · 4-(다이메틸뷰틸아미노)다이페닐아민 · N-(1,3-다이메틸부틸)-N´-페닐-p-페닐렌다이아민

https://huagongshe.com/ko/chemical/13101

N-(1,3-다이메틸뷰틸-N'-페닐-p-페닐렌디아민) 분자 구조식

식별자 및 물리적 특성

CAS No.793-24-8
분자식C18H24N2
평균 분자량268.4 g/mol
단동위원소 질량268.19394877 g/mol
SMILESCC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1
InChIKeyZZMVLMVFYMGSMY-UHFFFAOYSA-N
PubChem CID13101
ChEMBLCHEMBL1558796
EC No.212-344-0
DTXSIDDTXSID9025114
현지명N-(1,3-다이메틸뷰틸-N'-페닐-p-페닐렌디아민)

화학 및 물리적 성질

XLogP5.6
극성 표면적24.1
수소 결합 공여자 수2
수소 결합 수용자 수2
회전 가능 결합 수6
무거운 원자 수20
형식 전하0
복잡도250
LogP(분배 계수)5.4
밀도1.1 (NTP, 1992) - Denser than waterwill sink1.071.02 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.000.986~1.00g/cm3
Color/FormDark, violet solid
용해도less than 1 mg/mL at 63 °F (NTP, 1992)Solubility in water, g/100ml at 20 °C: 0.01메탄올에 용해됨
인화점400 °F (NTP, 1992)204 °C200 °C c.c.204°C
끓는 점500 °F at 760 mmHg (NTP, 1992)370 °C (calculated)260°C
녹는점113.4 to 113.9 °F (NTP, 1992)50 °C45-48 °C45-46°C
증기압0.000005 [mmHg]Vapor pressure at 25 °C: negligible
Physical DescriptionN-(1,3-dimethylbutyl)-n'-phenyl-p-phenylenediamine is a purple flakes. (NTP, 1992)Large CrystalsLiquidDry PowderCBIOther SolidDark violet solid[HSDB] Brown to violet solidTurns dark brown on light exposure[ICSC]BROWN-TO-VIOLET SOLID IN VARIOUS FORMS. TURNS DARK BROWN ON EXPOSURE TO LIGHT.
자연 발화 온도~500 °C
굴절률1.6300 (estimate)
저장 조건Keep in dark place,Sealed in dry,Room Temperature
물리적 상태powder to lump
pKa(산도 계수)6.73±0.32(Predicted)
색상Light orange to Dark red to Black
용해도17&C에서 <0.1g/100mL
헨리 상수2.9×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChIInChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3
InChIKeyZZMVLMVFYMGSMY-UHFFFAOYSA-N
SMILESC1(NC(C)CC(C)C)=CC=C(NC2=CC=CC=C2)C=C1
EPAN-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine (793-24-8)

화학적 성질

Gray purple to purplish brown flake or granular

안전 및 규제

GHS 분류This chemical does not meet GHS hazard criteria for 0.3% (1 of 381) of reports.DangerH302 (80.1%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (99.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]H360 (17.1%): May damage fertility or the unborn child [Danger Reproductive toxicity]H360F (27.3%): May damage fertility [Danger Reproductive toxicity]H400 (98.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (99.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 381 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 381 reports by companies.There are 19 notifications provided by 380 of 381 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보Chemical: 1,4-Benzenediamine, N1-(1,3-dimethylbutyl)-N4-phenyl-Hazard Traits - BioaccumulationEnvironmental PersistenceAuthoritative List - OSPAR Priority Action Part AReport - if used as a fragrance or flavor ingredient1,4-Benzenediamine, N1-(1,3-dimethylbutyl)-N4-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenediamine, N1-(1,3-dimethylbutyl)-N4-phenyl- 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: 02-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/153671,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

용도

일반 설명

Purple flakes.

기타 안전 정보IMAP assessments - 1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-: Human health tier I assessment
운송 라벨(DOT)Class 9
화재 위험This compound is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
건강 유해성SYMPTOMS: Symptoms resulting from exposure to this compound include skin irritation and fatigue.ACUTE/CHRONIC HAZARDS: This compound may cause cumulative irritation or sensitization following dermal exposure. When heated to decomposition it emits toxic fumes. (NTP, 1992)
유해성 요약Reports of skin sensitization in employees in tire and rubber industriesNot mutagenic in four strains of Salmonella and not clastogenic in mice bone marrow cellsEmergency treatment: ParaphenylenediamineIn sensitized individuals, paraphenylenediamine may cause allergic contact dermatitis following application as a hair dye and asthma following inhalationFollowing ingestion, can cause angioneurotic edema, methemoglobinemia, acute tubular necrosis, and hepatotoxicityAn adult died after ingestion of 3 grams of p-phenylenediamineAnother adult who ingested 1800 mg developed angioneurotic edema and acute renal failure[HSDB] A mild skin and eye irritantMay cause skin sensitization[ICSC] May cause skin irritation and sensitization[CAMEO] A mild skin and eye irritantLikely a skin sensitizer based on animal studies and positive patch test results in volunteers exposed to rubber formulations[CHEMINFO] See p-Phenylenediamine.
반응성 그룹Amines, Phosphines, and Pyridines
UN 분류UN Hazard Class: 9UN Pack Group: III
Reactivity ProfileYou should protect N-(1,3-DIMETHYLBUTYL)-N'-PHENYL-P-PHENYLENEDIAMINE from exposure to strong oxidizing agents such as chlorine or hydrogen peroxide. This material will ignite if heated strongly. (NTP, 1992)
Chemical DangersDecomposes on burning. This produces toxic fumes including nitrogen oxides. Reacts with strong oxidants.
Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (80.1%)Skin Sens. 1 (99.5%)Repr. 1B (17.1%)Repr. 1B (27.3%)Aquatic Acute 1 (98.4%)Aquatic Chronic 1 (99.5%)Acute toxicity (Oral) - Category 4Serious eye damage/eye irritation - Category 2BSkin sensitization - Category 1Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects)Specific target organ toxicity - Repeated exposure - Category 2 (blood system)Hazardous to the aquatic environment (Acute) - Category 1Hazardous to the aquatic environment (Long-term) - Category 1Skin sensitization - Category 1AReproductive toxicity - Category 1B
소화Fires involving this material should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)Use water spray, powder.
응급 조치Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.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 .
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.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
안전 보관Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access. Separated from strong oxidants.
노출 관리 및 개인 보호2.0 [mg/m3], inhalable fraction[German Research Foundation (DFG)]
비화재 누출 대응SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
처리 방법SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
누출 처리Personal protection: protective gloves and particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.
Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: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.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Eye PreventionWear safety goggles.
Fire PreventionNO open flames.
Inhalation RiskA harmful concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
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.Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effectSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
노출 경로The substance can be absorbed into the body by ingestion.
Signs and SymptomsCough.Redness.
ICSC Environmental DataThe substance is very toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.
Human Toxicity ExcerptsTEN AUTOMOBILE TIRES MFR BY 8 FIRMS INDUCED CONTACT SENSITIVITY IN 7 SUBJECTS ALLERGIC TO N-ISOPROPYL-N'-PHENYL-P-PHENYLENEDIAMINE ANTIOZONANT. N-(1,3-DIMETHYLBUTYL)-N'-PHENYL-P-PHENYLENEDIAMINE, AN ANTIOZONANT PURPORTED TO BE NONSENSITIZING, GAVE POS RESPONSES IN ALL PATIENTS ALLERGIC TO N-ISOPROPYL-N'-PHENYL-P-PHENYLENEDIAMINE.The case of a 48 year old woman who had worked for 16 years in a rubber factory, in the quality control department of a rubber factory was discussed. Part of her work included the weighing of rubber chemicals, primarily in powdered form or as pellets. Although the patient wore leather gloves and a face mask, after a short period of time pruritus, erythema and vesicles developed on the uncovered skin of the hands and neck. Contact allergies were noted to N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine, 2,2,4-trimethyl-1,2-dihydroquinoline and also to N-isopropyl-N'-phenyl-p-phenylenediamine. When away from her work, the patient did heal, only to relapse on returning to the job.
Non-Human Toxicity ExcerptsN-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine was evaluated for mutagenicity in the Salmonella/microsome preincubation assay using a standard protocol approved by the National Toxicology Program. Doses of 0, 0.1, 0.3, 1, 3.3, 10, 33, 100, and 200 ug/plate were tested in four Salmonella typhimurium strains (TA98, TA100, TA1535, and TA1537) in the presence and absence of Aroclor-induced rat or hamster liver S9. These tests were negative and the highest ineffective dose level tested in all four Salmonella tester strains under all treatment conditions was 3.3 ug/plate. The four highest dose levels caused clearing of the background lawn.N-(1,3-Dimethylbutyl)-N-phenylparaphenylenediamine is a derivative of phenylenediamine which is widely used in the rubber industry as an antioxidant. N-(1,3-Dimethylbutyl)-N-phenylparaphenylenediamine which is a strong allergen, is least studied for its clastogenic potency. This study evaluated the genotoxic property of DMPPD in Swiss albino mice bone marrow cells by using chromosomal aberration and micronuclei assay. Three concentrations of N-(1,3-dimethylbutyl)-N-phenylparaphenylenediamine, i.e., 100, 150 and 200 mg/kg body wt. did not significantly increase the micronuclei in polychromatic erythrocytes or the ratio of poly to normochromatic erythrocytes. Chromosome aberration studies using 100 mg and 200 mg/kg body wt. showed that N-(1,3-dimethylbutyl)-N-phenylparaphenylenediamine is a non-inducer of chromosome aberrations. The results indicated non-clastogenicity of N-(1,3-dimethylbutyl)-N-phenylparaphenylenediamine in mice marrow cells up to a concentration of 200 mg/kg bw under our experimental conditions.
수질 위해 등급(WGK)2
TSCA 등재 상태TSCA listed
RTECS 번호ST0900000
운송 번호(UN)UN 3077 9 / PGIII
독성LD50 oral in rat: 3580mg/kg
관세 코드29215190
위험 문구(R)22-43-50/53
위험 표시Xn,N
안전 문구(S)36/37-60-61
포장분류III
위험 등급9Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1
기존화학 물질KE-11272
저장 분류11 - Combustible Solids
유해 물질 데이터793-24-8(Hazardous Substances Data)
함량 및 규제정보물질구분: 유독물질혼합물(제품)함량정보: N-(1,3-디메틸부틸-N'-페닐-p-페닐렌디아민) 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링97-1-416