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| CAS No.: | 72324-39-1 |
|---|---|
| Name: | 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C8H10O5 |
| Molecular Weight: | 186.164 |
| Synonyms: | 5-ACETYL-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE;1,3-Dioxane-4,6-dione, 5-acetyl-2,2-diMethyl- |
| Density: | 1.231 g/cm3 |
| Melting Point: | 83-85 ºC |
| Boiling Point: | 417.9 °C at 760 mmHg |
| Flash Point: | 192.5 °C |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 69.67000 |
| LogP: | 0.02770 |
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Specification
The CAS registry number of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione is 72324-39-1. This chemical's molecular formula is C8H10O5 and molecular weight is 186.162. What's more, both its IUPAC name and systematic name are the same which is 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione.
Physical properties about 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione are: (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -1.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.37; (8)ACD/KOC (pH 7.4): 4.48; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.67 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 40.44 cm3; (15)Molar Volume: 151.1 cm3; (16)Polarizability: 16.03×10-24 cm3; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.231 g/cm3; (19)Flash Point: 192.5 °C; (20)Enthalpy of Vaporization: 67.14 kJ/mol; (21)Boiling Point: 417.9 °C at 760 mmHg; (22)Vapour Pressure: 3.42E-07 mmHg at 25 °C.
Preparation of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione: this chemical can be prepared by 2,2-Dimethyl-[1,3]dioxane-4,6-dione and Acetyl chloride. This reaction needs reagent Pyridine.
![5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione can be prepared by 2,2-Dimethyl-[1,3]dioxane-4,6-dione and Acetyl chloride](/UserFilesUpload/Preparation of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione.png)
Use of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione: it is used to produce other chemicals. For example, it is used to produce N-Acetoacetylpicolinamide. The reaction occurs with solvent Benzene at the condition of heating for 30 mins. The yield is 70%.
When you are dealing with this chemical, you should be very careful. This chemical is flammable. You must keep away from sources of ignition, so there is no smoking.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(OC(=O)C1C(=O)C)(C)C
(2) InChI: InChI=1/C8H10O5/c1-4(9)5-6(10)12-8(2,3)13-7(5)11/h5H,1-3H3
(3) InChIKey: BTJDMDJIAAHSRG-UHFFFAOYAB