

4-tert-Butylbenzoic acid
Catalog No: FT-0619495
CAS No: 98-73-7
- Molecular Formula: 178.23
- Formula Weight: C11H14O2
- Inchl Key: KDVYCTOWXSLNNI-UHFFFAOYSA-N
- Inchl: InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
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: | GHS06 |
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CAS: | 98-73-7 |
Flash_Point: | 134.9±16.2 °C |
Product_Name: | 4-tert-Butylbenzoic acid |
Bolling_Point: | 283.3±19.0 °C at 760 mmHg |
FW: | 178.228 |
Melting_Point: | 162-165 °C(lit.) |
MF: | C11H14O2 |
Density: | 1.1±0.1 g/cm3 |
Refractive_Index: | 1.524 |
---|---|
Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
Flash_Point: | 134.9±16.2 °C |
LogP: | 3.58 |
Bolling_Point: | 283.3±19.0 °C at 760 mmHg |
Water_Solubility: | 0.07 g/L (20 ºC) |
PSA: | 37.30000 |
Molecular_Structure: | ['1 . Molar refractive index 5157 ', '2 . Molar volume 1686 ', '3 . Parachor (902K)4174 ', '4 . Surface tension 375 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3) ', '7 . Polarizability 2044'] |
Computational_Chemistry: | ['1 . XlogP 39 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 183 ', '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: | 162-165 °C(lit.) |
MF: | C11H14O2 |
Exact_Mass: | 178.099380 |
FW: | 178.228 |
Density: | 1.1±0.1 g/cm3 |
More_Info: | ['1 . Appearance Colourless 针状结晶or 细结晶粉末。 ', '2 . Density(g/mL,25/4℃) 1142 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC) 162~165 ', '5 气相标准. Combustion heat(焓)(kJ·mol-1)-59310 ', '6 气相标准声称热(焓)( kJ·mol-1) -3985 ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC) 180 ', '9 晶相相标准. Combustion heat(焓)(kJ·mol-1)-58266 ', '12 晶相标准声称热(焓)( kJ·mol-1)-5029 ', '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 Soluble in Ethanol and 苯,Insoluble in Water 。 ', '20 . Boiling point(ºC)280'] |
Symbol: | GHS06 |
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RIDADR: | UN 2811 6.1/PG 3 |
HS_Code: | 29163900 |
Packing_Group: | III |
Hazard_Class: | 6.1 |
Risk_Statements(EU): | R20/22;R24;R48/20/21/22;R51/53;R62 |
WGK_Germany: | 3 |
Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
RTECS: | DG4708000 |
Hazard_Codes: | T:Toxic |
Warning_Statement: | P280-P312 |
Safety_Statements: | H302 + H332-H311 |
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