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CAS No.: | 1009-61-6 |
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Name: | 1,4-Diacetylbenzene |
Article Data: | 140 |
Molecular Structure: | |
Formula: | C10H10O2 |
Molecular Weight: | 162.188 |
Synonyms: | Benzene,p-diacetyl- (6CI,8CI);4'-Acetylacetophenone;NSC 295548;p-Acetylacetophenone;p-Diacetylbenzene; |
EINECS: | 213-769-4 |
Density: | 1.064 g/cm3 |
Melting Point: | 111-113 °C(lit.) |
Boiling Point: | 300.068 °C at 760 mmHg |
Flash Point: | 112.06 °C |
Solubility: | 6.309mg/L(25 oC) |
Appearance: | almost white to light brown crystalline powder |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25 |
PSA: | 34.14000 |
LogP: | 2.09180 |
The Ethanone,1,1'-(1,4-phenylene)bis-, with the CAS registry number 1009-61-6, is also known as Benzene, p-diacetyl- (8CI). It belongs to the product categories of Aromatic Ketones (substituted); C10; Carbonyl Compounds; Ketones. Its EINECS registry number is 213-769-4. This chemical's molecular formula is C10H10O2 and molecular weight is 162.19. Its IUPAC name is called 1-(4-acetylphenyl)ethanone. This chemical is almost white to light brown crystalline powder.
Physical properties of Ethanone,1,1'-(1,4-phenylene)bis-: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 1.34; (3)ACD/LogD (pH 7.4): 1.34; (4)ACD/BCF (pH 5.5): 6.14; (5)ACD/BCF (pH 7.4): 6.14; (6)ACD/KOC (pH 5.5): 127.63; (7)ACD/KOC (pH 7.4): 127.63; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.519; (11)Molar Refractivity: 46.3 cm3; (12)Molar Volume: 152.4 cm3; (13)Surface Tension: 37.6 dyne/cm; (14)Density: 1.063 g/cm3; (15)Flash Point: 112.1 °C; (16)Enthalpy of Vaporization: 54.01 kJ/mol; (17)Boiling Point: 300.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00115 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(4-ethyl-phenyl)-ethanone. This reaction will need reagent air, Cr2O3 and Ca(CO3)2.
Uses of Ethanone,1,1'-(1,4-phenylene)bis-: it can be used to produce 2,2'-dibromo-1,1'-p-phenylene-bis-ethanone at temperature of 10 °C. This reaction will need reagent bromine and solvent acetic acid. The yield is about 68%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. You should not breathe its dust. In addition, you must avoid contacting it with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC=C(C=C1)C(=O)C
(2)InChI: InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
(3)InChIKey: SKBBQSLSGRSQAJ-UHFFFAOYSA-N