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
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
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
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

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