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HCID 7031생성일: 2026년 10월 27일

MICHLER'S 케톤

4,4'-비스(다이메틸아미노)벤조페놀 · MICHLER'S케톤 · 4,4'-비스(다이메틸아미노)벤조페논 · 4,4'-비스(디메틸아미노)벤조페논 · Bis(4-(dimethylamino)phenyl)methanone · MICHLER KETONE · MICHLERS KETONE · BIS-DIMETHYLAMINOPHENYLMETHANONE

https://huagongshe.com/ko/chemical/7031

MICHLER'S 케톤 분자 구조식

식별자 및 물리적 특성

CAS No.90-94-8
분자식C17H20N2O
평균 분자량268.35 g/mol
단동위원소 질량268.15756326 g/mol
SMILESCN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
InChIKeyVVBLNCFGVYUYGU-UHFFFAOYSA-N
PubChem CID7031
ChEMBLCHEMBL15137
ChEBICHEBI:82347
EC No.202-027-5
DTXSIDDTXSID2020894
현지명MICHLER'S 케톤

화학 및 물리적 성질

XLogP3.9
극성 표면적23.6
수소 결합 공여자 수0
수소 결합 수용자 수3
회전 가능 결합 수4
무거운 원자 수20
형식 전하0
복잡도281
물질 분류Nitrogen Compounds -> Other Aromatics (Nitrogen)Carcinogens
SpringerMaterials PropertiesAngular frequency
LogP(분배 계수)3.87
Color/FormWHITE TO GREENISH LEAFLETSLEAF IN ALCOHOL, NEEDLES IN BENZENE
용해도less than 0.1 mg/mL at 64 °F (NTP, 1992)PRACTICALLY INSOL IN WATERSOL IN ALCOHOL, WARM BENZENE, VERY SLIGHTLY SOL IN ETHERVERY SOL IN PYRIMIDINE에탄올: 5mg/mL, 투명
인화점220 °C
끓는 점greater than 680 °F at 760 mmHg (decomposes) (NTP, 1992)ABOVE 360 °C WITH DECOMP
녹는점342 °F (NTP, 1992)172 °C179 °C174 -176 °C(lit.)
증기압0.00000107 [mmHg]
Physical DescriptionMichler's ketone appears as white to greenish crystalline leaflets or blue powder. (NTP, 1992)White to greenish solid[Merck Index] May also be in the form of a blue solid[CHEMINFO] Light blue powder[MSDSonline]
Collision Cross Section166.5 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2020894]
밀도1.0208 (rough estimate)
굴절률1.5486 (estimate)
저장 조건Store below +30°C.
물리적 상태가루
pKa(산도 계수)2.55±0.12(Predicted)
색상파란색에서 진한 파란색 또는 회색
용해도400mg/L(20℃)
Merck14,6177
BRN790733
안정성안정적인. 타기 쉬운. 강한 산화제, 강한 환원제와 호환되지 않습니다.
InChI1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
InChIKeyVVBLNCFGVYUYGU-UHFFFAOYSA-N
SMILESCN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C
NISTMethanone, bis[4-(dimethylamino)phenyl]-(90-94-8)
EPAMichler's ketone (90-94-8)

화학적 성질

white to light greenish crystals

안전 및 규제

GHS 분류DangerH318: Causes serious eye damage [Danger Serious eye damage/eye irritation]P203, P264+P265, P280, P305+P354+P338, P317, P318, P405, and P501 (click each P-code to see the statement)H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
규제 정보Chemical: Methanone, bis[4-(dimethylamino)phenyl]-Hazard Traits - CarcinogenicitySubstance: 4,4'-bis(dimethylamino)benzophenone (Michler’s ketone)4,4'-Bis(dimethylamino)benzophenone: 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 - CMR chemicals not registered under REACH: Human health tier II assessment
운송 라벨(DOT)Poison
화재 위험Literature sources indicate that this chemical is combustible. (NTP, 1992)
건강 유해성SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract.
유해성 요약MAK-2 (considered to be carcinogenic for man because sufficient data from long-term animal studies or limited evidence from animal studies substantiated by evidence from epidemiological studies indicate that it can make a significant contribution to cancer risk)[MAK] A skin, eye, mucous membrane, and respiratory tract irritant[CAMEO] An irritant[MSDSonline]
반응성 그룹Amines, Phosphines, and Pyridines
Special ReportsDHEW/NCIBioassay of Michler's Ketone for Possible Carcinogenicity (1979) Technical Rpt Series No. 181 DHEW Pub No. (NIH) 79-1737National Toxicology Program. Eleventh Report on Carcinogens (2005). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. Michler's Ketone (4,4'-Bis(dimethylamino)benzophenone) (90-94-8) is listed as reasonably anticipated to be a human carcinogen.[Available from, as of July 31, 2009: http://ntp.niehs.nih.gov/ntp/roc/eleventh/profiles/s113mich.pdf]

용도

용도

In manufacture of dyes and pigments.

일반 설명

White to greenish crystalline leaflets or blue powder.

Reactivity ProfileMICHLER'S KETONE is incompatible with strong oxidizing agents and strong reducing agents (NTP, 1992).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesEye Dam. 1 (100%)Carcinogenicity - category 1BGerm cell mutagenicity - Category 2Carcinogens
Explosive Limits and PotentialCombustible
소화Fires involving this chemical can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
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.
비화재 누출 대응SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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.
Isolation and EvacuationExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Protective Action Criteria (PAC)1.2 [mg/m3]13 [mg/m3]79 [mg/m3]
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
유해 작용IARC Carcinogen - Class 3: Chemicals are not classifiable by the International Agency for Research on Cancer.
Ongoing Test StatusThe 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. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=90-94-8]
Carcinogen ClassificationMichler’s ketone [4,4´-Bis(dimethylamino)­benzophenone]Group 2B: Possibly carcinogenic to humansVolume 99: (2010) Some Aromatic Amines, Organic Dyes, and Related Exposures2008Michler's ketone
Non-Human Toxicity ExcerptsBenzophenone /is/ non-irritating to animal eyes. /Benzophenone/
Evidence for CarcinogenicityMichler's Ketone (4,4'-bis(dimethylamino)benzophenone): reasonably anticipated to be a human carcinogen.
National Toxicology Program StudiesA bioassay for the possible carcinogenicity of technical grade Michler's ketone was administered in the feed, at either of two concentrations, the groups of 50 male and 50 female animals of each species. Twenty animals of each sex and species were placed on test as controls. The high and low dietary concentrations of Michler's ketone were respectively, 500 and 250 ppm for male rats, 1000 and 500 ppm for female rats, and 2500 and 1250 ppm for mice of both sexes. The compound was administered to rats and mice for 78 weeks. There were significant positive associations between the concentrations of Michler's ketone administered and mortality in rats and mice of both sexes ... and /in/ the incidences of hepatocellular carcinomas in both sexes of rats and in female mice and hemangiosarcomas in male mice. In all of these cases the high dose to control Fischer exact comparison was also significant. Under the conditions of this bioassay, dietary administration of Michler's ketone was carcinogenic to male and female Fischer 344 rats and female B6C3F1 mice, causing hepatocellular carcinomas, and to male B6C3F1 mice, causing hemangiosarcomas.
RAIS Toxicity Values0.00025CALEPA0.86
수질 위해 등급(WGK)3
TSCA 등재 상태TSCA listed
RTECS 번호DJ0250000
운송 번호(UN)2811
독성LD50 orally in Rabbit: > 6400 mg/kg
관세 코드29223990
위험 문구(R)45-41-68-36/37/38
위험 표시T,Xi
안전 문구(S)53-45-36-26
포장분류III
위험 등급6.1Carc. 1BEye Dam. 1Muta. 2
기존화학 물질KE-03043
자연 발화 온도480 °C
저장 분류6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
유해 물질 데이터90-94-8(Hazardous Substances Data)
중점관리물질 필터링별표1-37