Isopentyl hexanoate
Catalog No: FT-0686712
CAS No: 2198-61-0
- Chemical Name: Isopentyl hexanoate
- Molecular Formula: C11H22O2
- Molecular Weight: 186.29
- InChI Key: XVSZRAWFCDHCBP-UHFFFAOYSA-N
- InChI: InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
| 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 |
| Melting_Point: | 250 - 251ºC |
|---|---|
| CAS: | 2198-61-0 |
| MF: | C11H22O2 |
| Flash_Point: | 82.9±8.3 °C |
| Product_Name: | 3-Methylbutyl hexanoate |
| Density: | 0.9±0.1 g/cm3 |
| FW: | 186.291 |
| Bolling_Point: | 225.5±0.0 °C at 760 mmHg |
| Refractive_Index: | 1.425 |
|---|---|
| Vapor_Pressure: | 0.1±0.4 mmHg at 25°C |
| Flash_Point: | 82.9±8.3 °C |
| LogP: | 4.24 |
| Bolling_Point: | 225.5±0.0 °C at 760 mmHg |
| FW: | 186.291 |
| PSA: | 26.30000 |
| Computational_Chemistry: | ['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :130 ', '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'] |
| Melting_Point: | 250 - 251ºC |
| MF: | C11H22O2 |
| Exact_Mass: | 186.161987 |
| Molecular_Structure: | ['1 . Molar refractive index 5474 ', '2 . Molar volume 2139 ', '3 . Parachor (902K)4919 ', '4 . Surface tension 279 ', '5 . Polarizability 2170'] |
| Density: | 0.9±0.1 g/cm3 |
| More_Info: | ['1 . Appearance Colourless Liquid 呈苹果and 菠萝似香味。 ', '2 相对. Density(g/mL,15/4ºC)0860 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)222 ', '6 . Boiling point(ºC,20mmHg)Unknow ', '7 . Refractive index(20ºC)14180~1422 ', '8 . Flash point(ºF)185 ', '9 . Specific rotation() Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,100ºC)Unknow ', '12 . Saturated vapor pressure(kPa,20ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Soluble in Ethanol 非挥发性油and 矿物油,Insoluble in 丙二醇Water and 甘油。'] |
| RTECS: | MO8389300 |
|---|---|
| HS_Code: | 29349990 |
| Packing_Group: | III |
| WGK_Germany: | 2 |
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