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| CAS No.: | 39513-75-2 |
|---|---|
| Name: | 6-METHYL-4-CHROMANONE |
| Article Data: | 28 |
| Molecular Structure: | |
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| Formula: | C10H10O2 |
| Molecular Weight: | 162.188 |
| Synonyms: | 4-Chromanone,6-methyl- (6CI);2,3-Dihydro-6-methyl-4H-1-Benzopyran-4-one;6-Methyl-2,3-dihydrobenzopyran-4-one;6-Methylchroman-4-one;6-Methylchromanone; |
| Density: | 1.157 g/cm3 |
| Melting Point: | 31-35 °C(lit.) |
| Boiling Point: | 303.1 °C at 760 mmHg |
| Flash Point: | 145.4 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 26.30000 |
| LogP: | 1.96020 |
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Specification
The 6-Methyl-4-chromanone with the CAS number 39513-75-2 is also called 4H-1-Benzopyran-4-one,2,3-dihydro-6-methyl-. The IUPAC name is 6-methyl-2,3-dihydrochromen-4-one. Its molecular formula is C10H10O2. This chemical belongs to the following product categories: (1)Benzopyrans; (2)Building Blocks; (3)Heterocyclic Building Blocks.
The properties of the 6-Methyl-4-chromanone are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 42.96; (6)ACD/BCF (pH 7.4): 42.96; (7)ACD/KOC (pH 5.5): 513.54; (8)ACD/KOC (pH 7.4): 513.54; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 44.98 cm3; (15)Molar Volume: 140 cm3; (16)Polarizability: 17.83×10-24cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Enthalpy of Vaporization: 54.34 kJ/mol; (19)Vapour Pressure: 0.000949 mmHg at 25°C.
Preparation: This chemical can be prepared by 3-p-tolyloxy-propionic acid. This reaction needs reagent concentrated sulfuric acid at temperature of 20 °C.
Uses: This chemical can react with hydrocyanic acid; potassium salt to prepare 6-methyl-spiro[chroman-4,4'-imidazolidine]-2',5'-dione. This reaction needs reagent (NH4)2CO3 and solvent ethanol at temperature of 110 °C. The yield is 58%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2c(OCC1)ccc(c2)C
(2)InChI: InChI=1/C10H10O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3
(3)InChIKey: RJHXEPLSJAVTFW-UHFFFAOYAV