2,2-Dimethoxy-1,2-diphenylethan-1-on

DMPA · BDK · 2,2-bimethoxy-2-phenylacetophenone · irgacure651 · BENZIL DIMETHYL KETAL · 2,2-dimethoxy-1,2-diphenylethan-1-one · irg651 · Benzoin dimethyl ether

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

Molekülstruktur von 2,2-Dimethoxy-1,2-diphenylethan-1-on

Identifikatoren & physikalische Daten

CAS No.	24650-42-8
Summenformel	C16H16O3
Durchschnittliche Molmasse	256,3 g/mol
Monoisotopische Masse	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
Lokaler Name	2,2-Dimethoxy-1,2-diphenylethan-1-on

Chemische & physikalische Eigenschaften

XLogP	3
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	19
Formalladung	0
Komplexität	284
Stoffklassen	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]
Schmelzpunkt	67-70 °C(lit.)
Siedepunkt	169°C 7mm
Dichte	1.1320 (rough estimate)
Dampfdruck	0.002Pa at 25℃
Brechungsindex	1.5590 (estimate)
Flammpunkt	190 °C
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	methylene chloride: 20 mg/mL, clear66.32mg/L at 25℃
Aggregatzustand	Crystalline Powder
Farbe	White to pale yellow
BRN	2054295
Stabilität	Stable, but light-sensitive. Combustible. Incompatible with strong acids, strong oxidizing agents.
Kosmetik-Inhaltsstoffe Funktionen	FRAGRANCE
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 (Verteilungskoeffizient)	2.95 at 25℃
CAS Datenbank	24650-42-8(CAS DataBase Reference)
NIST chemische Informationen	Ethanone, 2,2-dimethoxy-1,2-diphenyl-(24650-42-8)
EPA chemische Informationen	Ethanone, 2,2-dimethoxy-1,2-diphenyl- (24650-42-8)

Sicherheit & Vorschriften

GHS-Einstufung	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.
Regulatorische Informationen	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
Gefahrenübersicht	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%)
Unerwünschte Wirkungen	Dermatotoxin - PACD (photoallergic contact dermatitis).
F	8
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 3077 9/PG 3
Zollcode	29145090

Anwendungen & Verwendung

Verwenden

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