2-Octyl-2H-isothiazol-3-one
Catalog No: FT-0613248
CAS No: 26530-20-1
- Molecular Formula: 213.34
- Formula Weight: C11H19NOS
- Inchl Key: JPMIIZHYYWMHDT-UHFFFAOYSA-N
- Inchl: InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | GHS05, GHS06, GHS09 |
|---|---|
| CAS: | 26530-20-1 |
| Flash_Point: | 137.9±23.2 °C |
| Product_Name: | 2-Octyl-2H-isothiazol-3-one |
| Bolling_Point: | 304.5±25.0 °C at 760 mmHg |
| FW: | 213.340 |
| Melting_Point: | N/A |
| MF: | C11H19NOS |
| Density: | 1.0±0.1 g/cm3 |
| Refractive_Index: | 1.519 |
|---|---|
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Flash_Point: | 137.9±23.2 °C |
| LogP: | 3.77 |
| Bolling_Point: | 304.5±25.0 °C at 760 mmHg |
| FW: | 213.340 |
| PSA: | 50.24000 |
| Computational_Chemistry: | ['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 456 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :204 ', '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'] |
| MF: | C11H19NOS |
| Exact_Mass: | 213.118729 |
| Molecular_Structure: | ['1 . Molar refractive index 6242 ', '2 . Molar volume （m3/mol）2056 ', '3 . Parachor （902K）5125 ', '4 . Surface tension 385 ', '5 . Polarizability （10 -24cm 3）2474'] |
| Density: | 1.0±0.1 g/cm3 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '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'] |
| Symbol: | GHS05, GHS06, GHS09 |
|---|---|
| RIDADR: | 2922 |
| HS_Code: | 3808940090 |
| Packing_Group: | III |
| Hazard_Class: | 8 |
| Risk_Statements(EU): | R22;R23/24;R34;R43;R50/53 |
| Personal_Protective_Equipment: | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| RTECS: | NX8156900 |
| Hazard_Codes: | T:Toxic |
| Warning_Statement: | P261-P273-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338 |
| Safety_Statements: | H302-H311 + H331-H314-H317-H410 |
