n-Amyl acetoacetate
Catalog No: FT-0693706
CAS No: 6624-84-6
- Chemical Name: n-Amyl acetoacetate
- Molecular Formula: C9H16O3
- Molecular Weight: 172.22
- InChI Key: IDZAUPYMMSSVHP-UHFFFAOYSA-N
- InChI: InChI=1S/C9H16O3/c1-3-4-5-6-12-9(11)7-8(2)10/h3-7H2,1-2H3
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Product_Name: | Amyl Acetoacetate |
|---|---|
| Flash_Point: | 86ºC |
| Melting_Point: | N/A |
| FW: | 172.22200 |
| Density: | 0.96 g/cm3 |
| CAS: | 6624-84-6 |
| Bolling_Point: | 222ºC |
| MF: | C9H16O3 |
| Density: | 0.96 g/cm3 |
|---|---|
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :5 ', '6. TPSA 434 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :152 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Molecular_Structure: | ['1制法 ', '于装有搅拌器回流冷凝器滴液漏斗的反应瓶中，加入乙酰乙酸乙酯（2）100mL（079mol），正戊醇100mL，对甲苯磺酸05g，搅拌回流15h。改为蒸馏装置，滴液漏斗中加入正戊醇，一边蒸馏，一边滴加正戊醇，控制滴加速度的蒸出速度基本相等，同时控制蒸馏温度在78℃。待馏出温度升高后，可停止反应（约需13h），冷却，用含有碳酸氢钠的饱和食盐水洗涤，无水硫酸钠干燥，减压分馏，收集92～94℃/335kPa的馏分，得乙酰乙酸戊酯（1），收率64%。'] |
| LogP: | 1.69890 |
| Flash_Point: | 86ºC |
| Refractive_Index: | 1.426 |
| FW: | 172.22200 |
| PSA: | 43.37000 |
| MF: | C9H16O3 |
| Bolling_Point: | 222ºC |
| Exact_Mass: | 172.11000 |
| Risk_Statements(EU): | 36/37/38 |
|---|---|
| HS_Code: | 2918300090 |
| Safety_Statements: | 26-36/37/39 |
