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CAS No.: | 63740-97-6 |
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Name: | 3,4-(METHYLENEDIOXY)BUTYROPHENONE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C11H12O3 |
Molecular Weight: | 192.214 |
Synonyms: | 5-Butyryl-1,3-benzodioxole; |
Density: | 1.163 g/cm3 |
Melting Point: | 47-49°C |
Boiling Point: | 319.3 °C at 760 mmHg |
Flash Point: | 137.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 24/25 |
PSA: | 35.53000 |
LogP: | 2.39810 |
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The 1-Butanone,1-(1,3-benzodioxol-5-yl)-, with the CAS registry number 63740-97-6, is also known as 5-Butyryl-1,3-benzodioxole. This chemical's molecular formula is C11H12O3 and molecular weight is 192.21. Its systematic name is called 1-(1,3-benzodioxol-5-yl)butan-1-one. When you are using this chemical, please be cautious about it, you should avoid contacting it with skin and eyes.
Physical properties of 1-Butanone,1-(1,3-benzodioxol-5-yl)-: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.538; (5)Molar Refractivity: 51.7 cm3; (6)Molar Volume: 165.1 cm3; (7)Surface Tension: 44.8 dyne/cm; (8)Density: 1.163 g/cm3; (9)Flash Point: 137.9 °C; (10)Enthalpy of Vaporization: 56.08 kJ/mol; (11)Boiling Point: 319.3 °C at 760 mmHg; (12)Vapour Pressure: 0.000342 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc2OCOc2c1)CCC
(2)InChI: InChI=1/C11H12O3/c1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10/h4-6H,2-3,7H2,1H3
(3)InChIKey: VHOZZIUFGVJOEL-UHFFFAOYAR