4-Methylbenzophenon

Bezeichnung:4-Methylbenzophenon

CAS-Nr134-84-9

Englisch Name:4-Methylbenzophenone

CBNumberCB4261278

SummenformelC14H12O

Molgewicht196.24

MOL-Datei134-84-9.mol

Synonyma

4-Methylbenzophenon

4-Methylbenzophenon physikalisch-chemischer Eigenschaften

Schmelzpunkt	56.5-57 °C (lit.)
Siedepunkt	326 °C (lit.)
Dichte	0.9926
Dampfdruck	0.059Pa at 25℃
Brechungsindex	1.5920 (estimate)
Flammpunkt	143 °C
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Crystalline Powder or Crystals
Farbe	White to beige
Geruch (Odor)	faint odor
Wasserlöslichkeit	Insoluble in water.
Merck	14,7317
BRN	1909310
Major Application	cleaning products cosmetics flavors and fragrances food and beverages personal care pharmaceutical
Kosmetik-Inhaltsstoffe Funktionen	LIGHT STABILIZER
InChI	1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey	WXPWZZHELZEVPO-UHFFFAOYSA-N
SMILES	Cc1ccc(cc1)C(=O)c2ccccc2
LogP	3.69 at 25℃
CAS Datenbank	134-84-9(CAS DataBase Reference)
NIST chemische Informationen	Methanone, (4-methylphenyl)phenyl-(134-84-9)
EPA chemische Informationen	4-Methylbenzophenone (134-84-9)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	22-36/38-36/37/38
S-Sätze:	24/25-36-26
WGK Germany	3
RTECS-Nr.	DJ1750000
Hazard Note	Harmful/Irritant
TSCA	TSCA listed
HS Code	29143990
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Aquatic Chronic 2 STOT RE 2 Oral

Gefahreninformationscode (GHS)

4-Methylbenzophenone Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
R36/38:Reizt die Augen und die Haut.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S24/25:Berührung mit den Augen und der Haut vermeiden.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
Chemische Eigenschaften
white to beige crystalline powder or crystals
Verwenden
4-Methylbenzophenone may be used as a reference standard for the determination of the analyte in breakfast cereals, paperboard food packaging and packed milk by various chromatography techniques.
Verwenden
4-Methylbenzophenone is used as clear coatings for wood, plastic and metal, overprint varnish.
Verwenden
Benzophenone estrogenicity toxicity structure activity.
Synthesis Reference(s)
Journal of the American Chemical Society, 82, p. 1223, 1960 DOI: 10.1021/ja01490a047
Tetrahedron Letters, 40, p. 3109, 1999 DOI: 10.1016/S0040-4039(99)00476-1
Synthesis, p. 776, 1977 DOI: 10.1055/s-1977-24573
Allgemeine Beschreibung
4-Methylbenzophenone is a photo-initiator for printing inks, mainly applied to the cardboard boxes used for packing. It is reported to be a non-genotoxic carcinogen. However, it can contaminate foodstuffs when it comes in contact with the package contents.
Flammability and Explosibility
Not classified
Sicherheitsprofil
Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
läuterung methode
Crystallise the ketone from MeOH, Et2O (m 58-59o) or pet ether. The cis-oxime has m 154o(153-156o) (from EtOH), and the trans-oxime has m 114-116o (from pet ether). [Beilstein 7 H 440, 7 III 2127, 7 IV 1403.]
Structure and conformation
4-Methylbenzophenone was one of the first organic compounds for which polymorphism was observed. It crystallizes in two modifications, the stable monoclinic α-form (mp 59°C) and a metastable trigonal β-form (mp 55 ℃). The metastable β-form is rather stable and almost indefinitely preserved if not subjected to severe mechanical load or brought into contact with the stable form. If it converts into a stable form, the crystal becomes milky white and non-transparent due to micro-cracking. There are no conditions under which the β-form is more stable than the α-form. 4-Methylbenzophenone crystallizes in a monoclinic stable form (mp 59 ℃) with a = 5.70 Å, b = 13.89 Å, c = 14.08 Å, p = 95.18° and space group P2_1/c, and a trigonal metastable form (mp 55°C) with a = 9.12 Å, c = 11.28 Å and space groups P3₁, or P3₂[1].
Einzelnachweise
[1] H. Kutzke, H. Klapper, M. Al-Mansour. "Stable and metastable crystal phases of 4-methylbenzophenone." Journal of Molecular Structure 374 1 (1995): 129–135.

4-Methylbenzophenone Upstream-Materialien And Downstream Produkte

4-Methylbenzophenon Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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