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Name |
4-Hydroxy-2(5H)-furanone |
EINECS | 208-785-3 |
CAS No. | 541-57-1 | Density | 1.551 g/cm3 |
PSA | 46.53000 | LogP | -0.01490 |
Solubility | soluble | Melting Point |
135-137 °C |
Formula | C4H4O3 | Boiling Point | 316.031 °C at 760 mmHg |
Molecular Weight | 100.074 | Flash Point | 161.959 °C |
Transport Information | N/A | Appearance | light yellow-beige crystalline powder |
Safety | 24/25 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Hydroxy-2(5H)-furanone;4-Hydroxy-5H-furan-2-one;b-Tetronic acid; |
Article Data | 14 |
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.
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