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| CAS No.: | 541-57-1 |
|---|---|
| Name: | 4-Hydroxy-2(5H)-furanone |
| Molecular Structure: | |
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| Formula: | C4H4O3 |
| Molecular Weight: | 100.074 |
| Synonyms: | 4-Hydroxy-2(5H)-furanone;4-Hydroxy-5H-furan-2-one;b-Tetronic acid; |
| EINECS: | 208-785-3 |
| Density: | 1.551 g/cm3 |
| Melting Point: | 135-137 °C |
| Boiling Point: | 316.031 °C at 760 mmHg |
| Flash Point: | 161.959 °C |
| Solubility: | soluble |
| Appearance: | light yellow-beige crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 46.53000 |
| LogP: | -0.01490 |
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Specification
This chemical is called 4-Hydroxy-2(5H)-furanone, and it can also be named as 2(5H)-Furanone, 4-hydroxy-. With the molecular formula of C4H4O3, its molecular weight is 100.07. The CAS registry number of this chemical is 541-57-1, and its product category is Ring Systems. In addition, this chemical is light yellow-beige crystalline powder, and it's soluble in water. However, this chemical should be stored sealed in the cool and dry plcace.
Other characteristics of the 4-Hydroxy-2(5H)-furanone can be summarised as followings: (1)ACD/LogP: -1.24; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 21.373 cm3; (13)Molar Volume: 64.53 cm3; (14)Polarizability: 8.473×10-24cm3; (15)Surface Tension: 70.429 dyne/cm; (16)Density: 1.551 g/cm3; (17)Flash Point: 161.959 °C; (18)Enthalpy of Vaporization: 64.613 kJ/mol; (19)Boiling Point: 316.031 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
Uses of this chemical: The 4-Hydroxy-2(5H)-furanone could react with propan-1-ol, and obtain the 4-propoxy-2(5H)-furanone. This reaction needs the reagent of conc. H2SO4. The yield is 56 %. In additon, this reaction should be taken for 2 hours at the ambient temperature.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: C1C(=CC(=O)O1)O
2.InChI: InChI=1/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2
3.InChIKey: JZQBAGOECGRTSA-UHFFFAOYAS