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| CAS No.: | 6290-50-2 |
|---|---|
| Name: | 1-METHOXY-2,4-PENTANDIONE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C6H10O3 |
| Molecular Weight: | 130.144 |
| Synonyms: | (Methoxyacetyl)acetone;1-Methoxy-2,4-pentanedione;NSC 6703; |
| Density: | 1.015 g/cm3 |
| Melting Point: | 40 °C |
| Boiling Point: | 211.9 °C at 760 mmHg |
| Flash Point: | 85.5 °C |
| PSA: | 43.37000 |
| LogP: | 0.18100 |
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- Total:24 Page 1 of 1 1
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Specification
The 2,4-Pentanedione,1-methoxy-, with the CAS registry number 6290-50-2, is also known as (Methoxyacetyl)acetone. This chemical's molecular formula is C6H10O3 and molecular weight is 130.14. What's more, its systematic name is 1-methoxypentane-2,4-dione.
Physical properties of 2,4-Pentanedione,1-methoxy- are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.408; (8)Molar Refractivity: 31.65 cm3; (9)Molar Volume: 128.1 cm3; (10)Polarizability: 12.54×10-24cm3; (11)Surface Tension: 30.2 dyne/cm; (12)Density: 1.015 g/cm3; (13)Flash Point: 85.5 °C; (14)Enthalpy of Vaporization: 44.82 kJ/mol; (15)Boiling Point: 211.9 °C at 760 mmHg; (16)Vapour Pressure: 0.178 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)CC(=O)COC
(2)InChI: InChI=1S/C6H10O3/c1-5(7)3-6(8)4-9-2/h3-4H2,1-2H3
(3)InChIKey: RZCMFVQMQKCVEN-UHFFFAOYSA-N