4H-Pyran-4-one supplier | CasNO.108-97-4

Name
4H-Pyran-4-one
EINECS 203-634-8
CAS No. 108-97-4
Article Data25
CAS DataBase
Density 1.192 g/cm³
Solubility
Melting Point 32-34 °C(lit.)
Formula C₅H₄O₂
Boiling Point 212.5 °C at 760 mmHg
Molecular Weight 96.0856
Flash Point 101.1 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyrone;4H-Pyran, 4-oxo-;Pyran-4-one;Gamma-pyrone;4-oxo-4H-Pyran;
PSA 30.21000
LogP 0.63980

4H-Pyran-4-one Specification

The 4H-Pyran-4-one, with the CAS registry number 108-97-4, is also known as 4-oxo-4H-Pyran. Its EINECS number is 203-634-8. This chemical's molecular formula is C₅H₄O₂ and molecular weight is 96.08. What's more, its systematic name is pyran-4-one. You should not breathe dust. When using it, you should avoid contacting with skin and eyes. It is an unsaturated cyclic chemical compound. It is isomeric with 2-pyrone. It forms the central core of several natural chemical compounds including maltol and kojic acid and of the important class of the flavones.

Physical properties of 4H-Pyran-4-one are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 15.61; (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: 1.507; (11)Molar Refractivity: 24 cm³; (12)Molar Volume: 80.5 cm³; (13)Surface Tension: 38.9 dyne/cm; (14)Density: 1.192 g/cm³; (15)Flash Point: 101.1 °C; (16)Enthalpy of Vaporization: 44.88 kJ/mol; (17)Boiling Point: 212.5 °C at 760 mmHg; (18)Vapour Pressure: 0.173 mmHg at 25°C.

Uses of 4H-Pyran-4-one: it can be used to produce 1-cyclopropyl-1H-pyridin-4-one by heating. It will need solvent H₂O with the reaction time of 3 hours. It's a reaction of condensation. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=COC=CC1=O
(2)InChI: InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H
(3)InChIKey: CVQUWLDCFXOXEN-UHFFFAOYSA-N

Product Name

4H-Pyran-4-one

4H-Pyran-4-one Specification

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