| Identification | More | [Name]
1,4-DIACETYLBENZENE | [CAS]
1009-61-6 | [Synonyms]
1,4-DIACETYLBENZENE
4'-ACETYLACETOPHENONE
4-ACETYLACETOPHENONE
P-ACETYL ACETOPHENONE
P-DIACETYLBENZENE
TIMTEC-BB SBB008588
1-(4-Acetyl-phenyl)-ethanone
1,1’-(1,4-phenylene)bis-ethanon
Benzene, p-diacetyl-
Ethanone,1,1’-(1,4-phenylene)bis-
PARA-ACETYLACETOPHENONE
Ethanone,1,1'-(1,4-phenyle
1,4-DIACETYLBENZENE 99+%
1,1'-(p-Phenylene)bisethanone
1,1'-p-Phenylenebisethanone | [EINECS(EC#)]
213-769-4 | [Molecular Formula]
C10H10O2 | [MDL Number]
MFCD00008750 | [Molecular Weight]
162.19 | [MOL File]
1009-61-6.mol |
| Chemical Properties | Back Directory | [Appearance]
ALMOST WHITE TO LIGHT BROWN CRYSTALLINE POWDER | [Melting point ]
111-113 °C (lit.) | [Boiling point ]
120 °C / 1mmHg | [density ]
1.0613 (rough estimate) | [refractive index ]
1.5120 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystaline | [color ]
White to Almost white | [Water Solubility ]
6.309mg/L(25 ºC) | [BRN ]
1907515 | [InChI]
InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3 | [InChIKey]
SKBBQSLSGRSQAJ-UHFFFAOYSA-N | [SMILES]
C1(C(=O)C)=CC=C(C(=O)C)C=C1 | [CAS DataBase Reference]
1009-61-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Ethanone, 1,1'-(1,4-phenylene)bis-(1009-61-6) | [EPA Substance Registry System]
1009-61-6(EPA Substance) |
| Safety Data | Back Directory | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
29143990 |
| Hazard Information | Back Directory | [Chemical Properties]
ALMOST WHITE TO LIGHT BROWN CRYSTALLINE POWDER | [Uses]
1,1''-(1,4-phenylene)bis-Ethanone can undergo oxidative C-C Bond Cleavage to synthesize an aryl carboxylic acid with an iodine catalyst . 1,1''-(1,4-phenylene)bis-Ethanone is also capable of Suzuki-Miyaura coupling. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 26, p. 4308, 1961 DOI: 10.1021/jo01069a031
Synthetic Communications, 26, p. 3175, 1996 DOI: 10.1080/00397919608004626 | [Purification Methods]
Crystallise it from EtOH (m 114o) or *benzene and dry it in a vacuum over CaCl2. Also purify it by dissolving it in acetone, treating with Norit, evaporating and recrystallising from MeOH. The dioxime has m 248-259o. [Wagner et al. J Am Chem Soc 108 7727 1986]. [Beilstein 7 H 686, 7 II 624, 7 III 3504, 7 IV 2156.] |
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