| Identification | More | [Name]
4-Methylbenzophenone | [CAS]
134-84-9 | [Synonyms]
4-METHYLBENZOPHENONE
(4-METHYLPHENYL)PHENYLMETHANONE
P-BENZOYL TOLUENE
PHENYL 4-TOLYL KETONE
PHENYL P-TOLYL KETONE
P-METHYLBENZOPHENONE
P-TOLYL PHENYL KETONE
(4-methylphenyl)phenyl-methanon
4-methyl-benzophenon
Benzophenone, 4-methyl-
methyl-p-benzophenon
p-Benzophenone, methyl-
USAF DO-54
usafdo-54
4-Methylbenzophenone95%
p-Phenyl tolyl ketone
Methanone, (4-methylphenyl)phenyl-
4-METHYLBENZOPHENONE 99+%
phenyl(p-tolyl)methanone
4-methlybenzophenone | [EINECS(EC#)]
205-159-1 | [Molecular Formula]
C14H12O | [MDL Number]
MFCD00008553 | [Molecular Weight]
196.24 | [MOL File]
134-84-9.mol |
| Chemical Properties | Back Directory | [Appearance]
white to beige crystalline powder or crystals | [Melting point ]
56.5-57 °C (lit.) | [Boiling point ]
326 °C (lit.) | [density ]
0.9926 | [vapor pressure ]
0.059Pa at 25℃ | [refractive index ]
1.5920 (estimate) | [Fp ]
143 °C
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder or Crystals | [color ]
White to beige | [Odor]
faint odor | [Water Solubility ]
Insoluble in water. | [Merck ]
14,7317 | [BRN ]
1909310 | [InChIKey]
WXPWZZHELZEVPO-UHFFFAOYSA-N | [LogP]
3.69 at 25℃ | [CAS DataBase Reference]
134-84-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Methanone, (4-methylphenyl)phenyl-(134-84-9) | [EPA Substance Registry System]
134-84-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/38:Irritating to eyes and skin .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [RTECS ]
DJ1750000
| [Hazard Note ]
Harmful/Irritant | [TSCA ]
Yes | [HS Code ]
29143900 | [Safety Profile]
Poison by
intraperitoneal route. A flammable liquid.
When heated to decomposition it emits
acrid smoke and irritating fumes. |
| Hazard Information | Back Directory | [Chemical Properties]
white to beige crystalline powder or crystals | [Uses]
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 | [General Description]
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]
Notclassified | [Purification Methods]
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 P21/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].
| [References]
[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. |
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