3,5,5-TRIMETHYLHEXANAL
Catalog No: FT-0653812
CAS No: 5435-64-3
- Chemical Name: 3,5,5-TRIMETHYLHEXANAL
- Molecular Formula: C9H18O
- Molecular Weight: 142.24
- InChI Key: WTPYRCJDOZVZON-UHFFFAOYSA-N
- InChI: InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
| 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 |
| Bolling_Point: | 67-68 °C2.5 mm Hg(lit.) |
|---|---|
| CAS: | 5435-64-3 |
| MF: | C9H18O |
| Melting_Point: | N/A |
| Symbol: | Warning |
| Density: | 0.817 g/mL at 25 °C(lit.) |
| FW: | 142.23900 |
| Product_Name: | 3,5,5-Trimethylhexanal |
| Flash_Point: | 116 °F |
| Bolling_Point: | 67-68 °C2.5 mm Hg(lit.) |
|---|---|
| LogP: | 2.64770 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）0817 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）285 ', '5 . Boiling point（ºC,Atmospheric pressure）67-68 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1421 ', '8 . Flash point（ºF）116 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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 :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :998 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Exact_Mass: | 142.13600 |
| MF: | C9H18O |
| Density: | 0.817 g/mL at 25 °C(lit.) |
| Refractive_Index: | n20/D 1.421(lit.) |
| PSA: | 17.07000 |
| Flash_Point: | 116 °F |
| Molecular_Structure: | ['1 . Molar refractive index 4385 ', '2 . Molar volume （m3/mol）1748 ', '3 . Parachor （902K）3915 ', '4 . Surface tension 251 ', '5 . Polarizability （10 -24cm 3）1738'] |
| FW: | 142.23900 |
| Safety_Statements: | H226-H315-H317-H412 |
|---|---|
| RIDADR: | UN 1989 3/PG 3 |
| WGK_Germany: | 1 |
| Hazard_Codes: | Xi |
| RTECS: | MN7820000 |
| HS_Code: | 2912190090 |
| Risk_Statements(EU): | 10-36/37/38 |
| Symbol: | Warning |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard_Class: | 3.2 |
| Packing_Group: | III |
| Warning_Statement: | P273-P280 |
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