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Name |
5,6-Dihydro-2h-pyran-2-one |
EINECS | -0 |
CAS No. | 3393-45-1 | Density | 1.12 g/cm3 |
PSA | 26.30000 | LogP | 0.48950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H6O2 | Boiling Point | 233.723 °C at 760 mmHg |
Molecular Weight | 98.1014 | Flash Point | 89.106 °C |
Transport Information | UN 1224 3/PG 3 | Appearance | N/A |
Safety | 23-24/25 | Risk Codes | 10 |
Molecular Structure | Hazard Symbols | R10:Flammable.; | |
Synonyms |
2-Pentenoicacid, 5-hydroxy-, d-lactone (6CI,7CI);5,6-Dihydro-a-pyrone;d-2-Pentenolide; |
Article Data | 1 |
The 2H-Pyran-2-one,5,6-dihydro-, with the CAS registry number 3393-45-1, is also known as 5,6-Dihydro-2-pyranone. It belongs to the product categories of API intermediates; Building Blocks; Heterocyclic Building Blocks; Pyrans. This chemical's molecular formula is C5H6O2 and molecular weight is 98.1. What's more, its systematic name is 5,6-dihydro-2H-pyran-2-one. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.
Physical properties of 2H-Pyran-2-one,5,6-dihydro- are: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 21.62; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 24.39 cm3; (12)Molar Volume: 87.2 cm3; (13)Surface Tension: 35.9 dyne/cm; (14)Density: 1.123 g/cm3; (15)Flash Point: 89.1 °C; (16)Enthalpy of Vaporization: 47.04 kJ/mol; (17)Boiling Point: 233.7 °C at 760 mmHg; (18)Vapour Pressure: 0.055 mmHg at 25°C.
Preparation: this chemical can be prepared by 3,6-dihydro-2H-pyran at the temperature of 60 - 70 °C. This reaction will need reagent pyridinium chlorochromate and solvent CH2Cl2 with the reaction time of 7 hours. The yield is about 70%.
Uses of 2H-Pyran-2-one,5,6-dihydro-: it can be used to produce 2-methoxy-tetrahydro-furan-2-carboxylic acid methyl ester by heating. It will need reagent concentrated sulfuric acid with the reaction time of 17 hours. The yield is about 88%.
When you are using this chemical, please be cautious about it as the following:
It is flammable. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1OCC/C=C/1
(2)InChI: InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2
(3)InChIKey: QBDAFARLDLCWAT-UHFFFAOYSA-N