4H-1-Benzopyran-4-one,5,7-dihydroxy-2-methyl- supplier

Name
2-Methyl-5,7-dihydroxychromone
EINECS
CAS No. 1013-69-0
Article Data37
CAS DataBase
Density 1.456 g/cm³
Solubility
Melting Point 279 °C
Formula C₁₀H₈O₄
Boiling Point 394.6 °C at 760 mmHg
Molecular Weight 192.171
Flash Point 164 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one;
PSA 70.67000
LogP 1.51260

4H-1-Benzopyran-4-one,5,7-dihydroxy-2-methyl- Specification

The 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-methyl-, with the CAS registry number of 1013-69-0, is also known as 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one. Its molecular formula is C₁₀H₈O₄ and molecular weight is 192.168120. What's more, its IUPAC name is 5,7-Dihydroxy-2-methylchromen-4-one.

Physical properties about the 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-methyl- are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 44.76 Å²; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 48.23 cm³; (9)Molar Volume: 131.9 cm³; (10)Surface Tension: 63.4 dyne/cm; (11)Density: 1.456 g/cm³; (12)Flash Point: 164 °C; (13)Enthalpy of Vaporization: 66.98 kJ/mol; (14)Boiling Point: 394.6 °C at 760 mmHg; (15)Vapour Pressure: 8.59E-07 mmHg at 25 °C.

Preparation: this chemical can be obtained by 5,7-Diacetoxy-3-acetyl-2-methyl-chromen-4-one. The reaction needs reagent Na₂CO₃. The reaction time is 1 h. The yield is about 75 %.

The 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-methyl- can be obtained by 5,7-Diacetoxy-3-acetyl-2-methyl-chromen-4-one

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c2c(O/C(=C/1)C)cc(O)cc2O
(2) InChI: InChI=1/C10H8O4/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4,11,13H,1H3
(3) InChIKey: NCUJRUDLFCGVOE-UHFFFAOYAQ

Product Name

2-Methyl-5,7-dihydroxychromone

4H-1-Benzopyran-4-one,5,7-dihydroxy-2-methyl- Specification

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