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Name |
2-Butanone,4-(acetyloxy)-3-[(acetyloxy)methyl]- |
EINECS | N/A |
CAS No. | 5400-83-9 | Density | 1.113 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H14O5 | Boiling Point | 287.3 °C at 760 mmHg |
Molecular Weight | 202.207 | Flash Point | 123.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
The CAS registry number of 2-Butanone,4-(acetyloxy)-3-[(acetyloxy)methyl]- is 5400-83-9. This chemical's molecular formula is C9H14O5 and molecular weight is 202.2045. What's more, both its IUPAC name and systematic name are the same which is called 2-[(Acetyloxy)methyl]-3-oxobutyl acetate.
Physical properties about 2-Butanone,4-(acetyloxy)-3-[(acetyloxy)methyl]- are: (1)ACD/LogP: 0.43; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 69.67Å2; (7)Index of Refraction: 1.434; (8)Molar Refractivity: 47.28 cm3; (9)Molar Volume: 181.5 cm3; (10)Surface Tension: 35.1 dyne/cm; (11)Density: 1.113 g/cm3; (12)Flash Point: 123.3 °C; (13)Enthalpy of Vaporization: 52.65 kJ/mol; (14)Boiling Point: 287.3 °C at 760 mmHg; (15)Vapour Pressure: 0.0025 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(C(=O)C)COC(=O)C)C
(2) InChI: InChI=1/C9H14O5/c1-6(10)9(4-13-7(2)11)5-14-8(3)12/h9H,4-5H2,1-3H3
(3) InChIKey: SQCZVEFHJUHKOH-UHFFFAOYAO