(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
Catalog No: FT-0699920
CAS No: 25265-77-4
- Chemical Name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
- Molecular Formula: C12H24O3
- Molecular Weight: 216.32
- InChI Key: DAFHKNAQFPVRKR-UHFFFAOYSA-N
- InChI: InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
| 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: | -50°C |
|---|---|
| FW: | 216.317 |
| CAS: | 25265-77-4 |
| MF: | C12H24O3 |
| Flash_Point: | 85.1±12.6 °C |
| Product_Name: | 2,2,4-Trimethyl-1,3-Pentanediol Monoisobutyrate |
| Bolling_Point: | 249.0±13.0 °C at 760 mmHg |
| Density: | 0.9±0.1 g/cm3 |
| FW: | 216.317 |
|---|---|
| Refractive_Index: | 1.444 |
| Vapor_Pressure: | 0.0±1.1 mmHg at 25°C |
| Flash_Point: | 85.1±12.6 °C |
| LogP: | 2.57 |
| Bolling_Point: | 249.0±13.0 °C at 760 mmHg |
| More_Info: | ['1 . Appearance Liquid ', '2 . Density（g/mL,25/4℃）095 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-50 ', '5 . Boiling point（ºC,Atmospheric pressure）244 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index14410 ', '8 . Flash point（ºC）123 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kpa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 Unknow'] |
| Computational_Chemistry: | ['1 . XlogP 31 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 6 ', '5 . TPSA 465 ', '6 重原子数15 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 207 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| Melting_Point: | -50°C |
| MF: | C12H24O3 |
| Exact_Mass: | 216.172546 |
| Molecular_Structure: | ['1 . Molar refractive index 6079 ', '2 . Molar volume （m3/mol）2287 ', '3 . Parachor （902K）5382 ', '4 . Surface tension 306 ', '5 . Polarizability 2410'] |
| Density: | 0.9±0.1 g/cm3 |
| PSA: | 46.53000 |
| RTECS: | UF6000000 |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| Safety_Statements: | S24/25 |
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