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| CAS No.: | 4166-20-5 |
|---|---|
| Name: | 3(2H)-Furanone,4-(acetyloxy)-2,5-dimethyl- |
| Article Data: | 3 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C8H10O4 |
| Molecular Weight: | 170.165 |
| Synonyms: | 3(2H)-Furanone,4-hydroxy-2,5-dimethyl-, acetate (7CI,8CI);4-Acetoxy-2,5-dimethyl-3(2H)furanone;2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate;Caramel acetate; |
| EINECS: | N/A |
| Density: | 1.19 g/cm3 |
| Melting Point: | N/A |
| Boiling Point: | 254.195 °C at 760 mmHg |
| Flash Point: | 107.902 °C |
| Solubility: | N/A |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 36-24/25 |
| Transport Information: | N/A |
| PSA: | 52.60000 |
| LogP: | 0.76880 |
| Conditions | Yield |
|---|---|
| With dmap In pyridine; dichloromethane at 0 - 20℃; | |
| at 80℃; for 3h; |
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The 3(2H)-Furanone,4-(acetyloxy)-2,5-dimethyl-, with the CAS registry number 4166-20-5, is also known as 4-(Acetyloxy)-2,5-dimethyl-3(2H)-furanone. It belongs to the product categories of Furan & Benzofuran; A-B; Alphabetical Listings; Flavors and Fragrances. This chemical's molecular formula is C8H10O4 and molecular weight is 170.16. What's more, its systematic name is 2,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl acetate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light.
Physical properties of 3(2H)-Furanone,4-(acetyloxy)-2,5-dimethyl- are: (1)ACD/LogP: 0.368; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.12; (6)ACD/BCF (pH 7.4): 1.12; (7)ACD/KOC (pH 5.5): 37.76; (8)ACD/KOC (pH 7.4): 37.76; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 40.183 cm3; (15)Molar Volume: 142.87 cm3; (16)Polarizability: 15.93×10-24cm3; (17)Surface Tension: 35.9939994812012 dyne/cm; (18)Density: 1.191 g/cm3; (19)Flash Point: 107.902 °C; (20)Enthalpy of Vaporization: 49.162 kJ/mol; (21)Boiling Point: 254.195 °C at 760 mmHg; (22)Vapour Pressure: 0.017000000923872 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. When using it, you must avoid contact with eyes and need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC=1C(=O)C(OC=1C)C)C
(2)Std. InChI: InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3
(3)Std. InChIKey: VPKIUOQJQJVLRW-UHFFFAOYSA-N
