알파,알파-디메톡시-알파-페닐아세토페논

알파,알파-디메톡시-알파-페닐아세토페논 · 페닐다이메톡시아세토페논 · DMPA · BDK · 2,2-bimethoxy-2-phenylacetophenone · irgacure651 · BENZIL DIMETHYL KETAL · 2,2-dimethoxy-1,2-diphenylethan-1-one

https://huagongshe.com/ko/chemical/90571

식별자 및 물리적 특성

CAS No.	24650-42-8
분자식	C16H16O3
평균 분자량	256.3 g/mol
단동위원소 질량	256.10994437 g/mol
SMILES	COC(OC)(C(=O)c1ccccc1)c1ccccc1
InChIKey	KWVGIHKZDCUPEU-UHFFFAOYSA-N
PubChem CID	90571
ChEMBL	CHEMBL364734
EC No.	246-386-6
DTXSID	DTXSID7037715
현지명	알파,알파-디메톡시-알파-페닐아세토페논

화학 및 물리적 성질

XLogP	3
극성 표면적	35.5
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	5
무거운 원자 수	19
형식 전하	0
복잡도	284
물질 분류	Other Classes -> Other Aromatic Compounds
Endocrine Disruptors	Potential endocrine disrupting compound
Physical Description	Dry PowderLarge CrystalsColorless crystalline solid[Sigma-Aldrich MSDS]
Collision Cross Section	170.6 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7037715]
녹는점	67-70 °C(lit.)
끓는 점	169°C 7mm
밀도	1.1320 (rough estimate)
증기압	0.002Pa at 25℃
굴절률	1.5590 (estimate)
인화점	190 °C
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	염화메틸렌: 20mg/mL, 투명
물리적 상태	결정성 분말
색상	흰색에서 연한 노란색
용해도	66.32mg/L at 25℃
BRN	2054295
안정성	안정적이지만 빛에 민감합니다. 타기 쉬운. 강산, 강산화제와 호환되지 않습니다.
화장품 원료 기능	향기
InChI	1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKey	KWVGIHKZDCUPEU-UHFFFAOYSA-N
SMILES	COC(OC)(C(=O)c1ccccc1)c2ccccc2
LogP(분배 계수)	2.95 at 25℃
NIST	Ethanone, 2,2-dimethoxy-1,2-diphenyl-(24650-42-8)
EPA	Ethanone, 2,2-dimethoxy-1,2-diphenyl- (24650-42-8)

화학적 성질

solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 0.3% (10 of 3373) of reports.WarningH302 (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.
규제 정보	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/5410Ethanone, 2,2-dimethoxy-1,2-diphenyl-: Non hazardous
유해성 요약	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 sensitizationCauses photosensitivity, with light induced allergic reactions ranging from sunburn-like reactions to edematous, vesiculated lesions, or bullae[Sigma-Aldrich MSDS] A mild eye irritantNo sensitization observed in experimental animals[IGM Resins MSDS] See Benzoin.
Hazard Classes and Categories	Acute Tox. 4 (65.1%)
유해 작용	Dermatotoxin - PACD (photoallergic contact dermatitis).
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	KM5775658
운송 번호(UN)	UN 3077 9/PG 3
관세 코드	29145090
위험 문구(R)	43-50/53

용도

2,2-Dimethoxy-2-phenylacetophenone (cas# 24650-42-8) is a compound useful in organic synthesis.