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| CAS No.: | 42059-81-4 |
|---|---|
| Name: | 3-FORMYL-6-METHYLCHROMONE |
| Article Data: | 39 |
| Molecular Structure: | |
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| Formula: | C11H8O3 |
| Molecular Weight: | 188.183 |
| Synonyms: | 3-Formyl-6-methylchromone;6-Methyl-3-formylchromone;6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde;6-Methylchromone-3-carboxaldehyde; |
| Density: | 1.364 g/cm3 |
| Melting Point: | 172-173 °C(lit.) |
| Boiling Point: | 335.1 °C at 760 mmHg |
| Flash Point: | 150.3 °C |
| Appearance: | yellow powder |
| Hazard Symbols: |
 Xi
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| Safety: | 24/25 |
| PSA: | 47.28000 |
| LogP: | 1.91390 |
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Specification
The 4H-1-Benzopyran-3-carboxaldehyde,6-methyl-4-oxo-, with the CAS registry number 42059-81-4, is also known as 3-Formyl-6-methylchromone. It belongs to the product category of Chromones. This chemical's molecular formula is C11H8O3 and molecular weight is 188.047344. Its IUPAC name is called 6-methyl-4-oxochromene-3-carbaldehyde. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. You should avoid contacting it with skin and eyes. This chemical is yellow powder.
Physical properties of 4H-1-Benzopyran-3-carboxaldehyde,6-methyl-4-oxo-: (1)ACD/LogP: 1.33; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.664; (5)Molar Refractivity: 51.19 cm3; (6)Molar Volume: 137.9 cm3; (7)Surface Tension: 63.3 dyne/cm; (8)Density: 1.364 g/cm3; (9)Flash Point: 150.3 °C; (10)Enthalpy of Vaporization: 57.81 kJ/mol; (11)Boiling Point: 335.1 °C at 760 mmHg; (12)Vapour Pressure: 0.000123 mmHg at 25°C.
Uses of 4H-1-Benzopyran-3-carboxaldehyde,6-methyl-4-oxo-: it can be used to produce 1-(2-hydroxy-5-methyl-phenyl)-3-piperidin-1-yl-propenone by heating. This reaction will need solvent ethanol with reaction time of 3 hours. The yield is about 56%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1)OC=C(C2=O)C=O
(2)InChI: InChI=1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3
(3)InChIKey: GBWMIOYSMWCYIZ-UHFFFAOYSA-N