알파,알파-디메톡시-알파-페닐아세토페논
2,2-Dimethoxy-2-phenylacetophenone
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기본 정보
- CAS
24650-42-8- 표준 SMILES
COC(OC)(C(=O)c1ccccc1)c1ccccc1- InChIKey
KWVGIHKZDCUPEU-UHFFFAOYSA-N- 분자식
- C16H16O3
- 평균 분자량
- 256.3 g/mol
- 단동위원소 질량
- 256.10994437
개요
2,2-dimethoxy-2-phenylacetophenone has been reported in Camellia sinensis with data available.
이름 및 식별자
- 우선 이름
- 2,2-Dimethoxy-2-phenylacetophenone
- IUPAC
- 2,2-dimethoxy-1,2-diphenylethanone
- 현지명
- 알파,알파-디메톡시-알파-페닐아세토페논
- 영어명
- 2,2-Dimethoxy-2-phenylacetophenone
- 분자식
- C16H16O3
- 분자량
- 256.3
이름 및 동의어
2,2-Dimethoxy-2-phenylacetophenone24650-42-82,2-Dimethoxy-1,2-diphenylethanoneBenzil dimethyl ketalIrgacure 651Ethanone, 2,2-dimethoxy-1,2-diphenyl-Kayacure BDMKBenzil dimethyl acetalEsacure KB 11,2-Diphenyl-2,2-dimethoxyethanoneLucirin BDKPhotomer 51
이름 더 보기
알파,알파-디메톡시-알파-페닐아세토페논페닐다이메톡시아세토페논DMPABDK2,2-bimethoxy-2-phenylacetophenoneirgacure6512,2-dimethoxy-1,2-diphenylethan-1-oneirg651Benzoin dimethyl etherIHT-PI BDKBenzoin diMethyl ether (DMPA)
Irgacure 621Irgacure 641Irgacure E 651Irgacure I 651Benzil mono(dimethyl ketal)Benzil mono(dimethyl acetal)Phenyldimethoxyacetophenone2,2-Dimethoxyphenylacetophenone
데이터베이스 식별자
- CAS
24650-42-8- PubChem CID
- 90571
- DTXSID
DTXSID7037715- ChEMBL
CHEMBL364734- UNII
- 1DK0094V28
- EC Number
- 246-386-6
- Nikkaji
- J208.403A
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 284
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Other Aromatic Compounds
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
Dry Powder; Large Crystals
Colorless crystalline solid; [Sigma-Aldrich MSDS]
Collision Cross Section170.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7037715]
물리화학적 성질
- 녹는점
- 67 · 67-70 °C(lit.)
- 끓는 점
- 169 °C · 169°C 7mm
- 밀도
- 1.132 · 1.1320 (rough estimate)
- 증기압
- 0.002 Pa · 0.002Pa at 25℃
- 굴절률
- 1.559 · 1.5590 (estimate)
- 인화점
- 190 °C · 190 °C
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 20 mg/mL, · 염화메틸렌: 20mg/mL, 투명
- 물리적 상태
- 결정성 분말
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (10 of 3373) of reports.
Warning
H302 (65.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3373 reports by companies from 26 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Ethanone, 2,2-dimethoxy-1,2-diphenyl-
Ethanone, 2,2-dimethoxy-1,2-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 2,2-dimethoxy-1,2-diphenyl- 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: 10-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5410
Ethanone, 2,2-dimethoxy-1,2-diphenyl-: Non hazardous
Hazards Summary
Causes other liver changes and changes in liver and kidney weights in 90-day constant oral studies of rats; [RTECS] May cause irritation and respiratory sensitization; Causes photosensitivity, with light induced allergic reactions ranging from sunburn-like reactions to edematous, vesiculated lesions, or bullae; [Sigma-Aldrich MSDS] A mild eye irritant; No sensitization observed in experimental animals; [IGM Resins MSDS] See Benzoin.
Hazard Classes and CategoriesAcute Tox. 4 (65.1%)
독성 정보
Adverse EffectsDermatotoxin - PACD (photoallergic contact dermatitis).
화학 및 산업
용도 및 제조
Uses
Used to make large scale chemicals; [ExPub: ECHA REACH Registrations] Used as a photo-initiator for UV-curable inks, coatings, adhesives, fillers, etc.; [IGM Resins MSDS]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 250,000 - <400,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesTanning agents not otherwise specified
General Manufacturing Information
Miscellaneous Manufacturing
Ethanone, 2,2-dimethoxy-1,2-diphenyl-: ACTIVE
응용 분야
용도2,2-Dimethoxy-2-phenylacetophenone (cas# 24650-42-8) is a compound useful in organic synthesis.
관련 반응
36건
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