4-N-OCTYLBENZOIC ACID
Catalog No: FT-0619330
CAS No: 3575-31-3
- Molecular Formula: 234.33
- Formula Weight: C15H22O2
- Inchl Key: ZQLDNJKHLQOJGE-UHFFFAOYSA-N
- Inchl: InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 97-98 °C(lit.) |
|---|---|
| CAS: | 3575-31-3 |
| MF: | C15H22O2 |
| Flash_Point: | 172.6±16.7 °C |
| Product_Name: | 4-Octylbenzoic acid |
| Density: | 1.0±0.1 g/cm3 |
| FW: | 234.334 |
| Bolling_Point: | 359.9±21.0 °C at 760 mmHg |
| Refractive_Index: | 1.515 |
|---|---|
| Vapor_Pressure: | 0.0±0.8 mmHg at 25°C |
| Flash_Point: | 172.6±16.7 °C |
| LogP: | 6.07 |
| Bolling_Point: | 359.9±21.0 °C at 760 mmHg |
| PSA: | 37.30000 |
| Molecular_Structure: | ['1 . Molar refractive index 7052 ', '2 . Molar volume （m3/mol）2338 ', '3 . Parachor （902K）5847 ', '4 . Surface tension 391 ', '5 . Polarizability （10 -24cm 3）2796'] |
| Computational_Chemistry: | ['1 疏水参数计算参考值（XlogP3）61 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 8 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 17 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 205 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| Melting_Point: | 97-98 °C(lit.) |
| MF: | C15H22O2 |
| Exact_Mass: | 234.161987 |
| FW: | 234.334 |
| Density: | 1.0±0.1 g/cm3 |
| More_Info: | ['1 . Appearance 不确定 ', '2 . Densityd（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting pointmp（ºC）97-98 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling pointbp（ºC, 24mm ）不确定 ', '7 . Refractive index不确定 ', '8 . Flash pointfp（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定'] |
| Risk_Statements(EU): | 36/37-22 |
|---|---|
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| RTECS: | DH5945000 |
| RIDADR: | NONH for all modes of transport |
| Hazard_Codes: | Xn: Harmful; |
| HS_Code: | 2916399090 |
| Safety_Statements: | S22-S24/25 |
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