3-PHENYLBUTYRIC ACID
Catalog No: FT-0616339
CAS No: 4593-90-2
- Molecular Formula: 164.2
- Formula Weight: C10H12O2
- Inchl Key: ZZEWMYILWXCRHZ-UHFFFAOYSA-N
- Inchl: InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Product_Name: | 3-Phenylbutyric acid |
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Bolling_Point: | 288.0±0.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
MF: | C10H12O2 |
CAS: | 4593-90-2 |
Melting_Point: | 35-38 °C(lit.) |
Flash_Point: | 170.2±13.9 °C |
FW: | 164.201 |
MF: | C10H12O2 |
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Bolling_Point: | 288.0±0.0 °C at 760 mmHg |
Exact_Mass: | 164.083725 |
More_Info: | ['1 . Appearance White 晶体 ', '2 . Density不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)365 ', '5 . Boiling point(ºC,Atmospheric pressure)12115 ', '6 . Boiling point(ºC,9mmHg)159-161 ', '7 . Refractive index不确定 ', '8 . Flash point(ºC)>110 ', '9 . Specific rotation(º)不确定 ', '10 燃点(ºC)>110 ', '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'] |
Melting_Point: | 35-38 °C(lit.) |
PSA: | 37.30000 |
Flash_Point: | 170.2±13.9 °C |
Refractive_Index: | 1.531 |
Density: | 1.1±0.1 g/cm3 |
Molecular_Structure: | ['1 . Molar refractive index 4663 ', '2 . Molar volume 1506 ', '3 . Parachor (902K)3838 ', '4 . Surface tension 421 ', '5 . Polarizability 1848'] |
Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :148 ', '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'] |
FW: | 164.201 |
LogP: | 2.19 |
Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
Risk_Statements(EU): | R36/37/38 |
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Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
HS_Code: | 2916399090 |
Hazard_Class: | 4.1 |
Packing_Group: | III |
WGK_Germany: | 3 |
Safety_Statements: | S22-S24/25 |
Hazard_Codes: | Xi: Irritant; |
RIDADR: | 1325 |