p-Toluic acid
Catalog No: FT-0654542
CAS No: 99-94-5
- Chemical Name: p-Toluic acid
- Molecular Formula: C8H8O2
- Molecular Weight: 136.15
- InChI Key: LPNBBFKOUUSUDB-UHFFFAOYSA-N
- InChI: InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
| 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: | 179 °C |
|---|---|
| CAS: | 99-94-5 |
| MF: | C8H8O2 |
| Flash_Point: | 124.7±13.4 °C |
| Product_Name: | 4-Methylbenzoic acid |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 136.148 |
| Bolling_Point: | 275.3±9.0 °C at 760 mmHg |
| Refractive_Index: | 1.556 |
|---|---|
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Flash_Point: | 124.7±13.4 °C |
| LogP: | 2.36 |
| Bolling_Point: | 275.3±9.0 °C at 760 mmHg |
| PSA: | 37.30000 |
| Molecular_Structure: | ['1 . Molar refractive index 3800 ', '2 . Molar volume 1182 ', '3 . Parachor （902K）3070 ', '4 . Surface tension 454 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3）7 . Polarizability 1506'] |
| Computational_Chemistry: | ['1 . XlogP 23 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 10 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 123 ', '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: | 179 °C |
| MF: | C8H8O2 |
| Exact_Mass: | 136.052429 |
| FW: | 136.148 |
| Density: | 1.2±0.1 g/cm3 |
| More_Info: | ['1 . Appearance White or 微Yellow 粉状。 ', '2 . Density（g/mL,25℃）123 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）180~182 ', '5 . Boiling point（ºC）274~275（升华） ', '6 气相标准. Combustion heat(焓)(kJ·mol-1)-395928 ', '7 气相标准声称热(焓)( kJ·mol-1) -33208 ', '8 . Flash point（ºC）181 ', '9 晶相相标准. Combustion heat(焓)(kJ·mol-1)-386217 ', '10 晶相标准声称热(焓)( kJ·mol-1)-42924 ', '11 . Vapor pressure（mmHg, ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 易Soluble in 甲醇 Ethanol Ethyl ether ，难Soluble in 热Water ，随Water 的蒸发而挥发。'] |
| Risk_Statements(EU): | R22 |
|---|---|
| WGK_Germany: | 1 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| RTECS: | XU1575000 |
| RIDADR: | NONH for all modes of transport |
| Hazard_Codes: | Xn:Harmful |
| HS_Code: | 29163900 |
| Safety_Statements: | S22-S24/25 |
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