METHYL 4-ACETYLBENZOATE


Catalog No:   FT-0628610

CAS No:   3609-53-8

  • Molecular Formula:  178.18
  • Formula Weight: C10H10O3
  • Inchl Key: QNTSFZXGLAHYLC-UHFFFAOYSA-N
  • Inchl: InChI=1S/C10H10O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-6H,1-2H3

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
FW: 178.185
Bolling_Point: 295.6±23.0 °C at 760 mmHg
MF: C10H10O3
Flash_Point: 129.3±22.7 °C
Product_Name: Methyl 4-acetylbenzoate
Density: 1.1±0.1 g/cm3
CAS: 3609-53-8
Melting_Point: 93-96 °C(lit.)
Computational_Chemistry: ['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 434 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 202 ', '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']
Flash_Point: 129.3±22.7 °C
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)81-90 ', '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']
PSA: 43.37000
Vapor_Pressure: 0.0±0.6 mmHg at 25°C
Density: 1.1±0.1 g/cm3
Refractive_Index: 1.517
FW: 178.185
LogP: 2.07
Bolling_Point: 295.6±23.0 °C at 760 mmHg
Exact_Mass: 178.062988
MF: C10H10O3
Melting_Point: 93-96 °C(lit.)
Molecular_Structure: ['1 . Molar refractive index 4805 ', '2 . Molar volume 1588 ', '3 . Parachor (902K)3973 ', '4 . Surface tension 391 ', '5 . Polarizability 1905']
Safety_Statements: S24/25
RIDADR: NONH for all modes of transport
Personal_Protective_Equipment: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
HS_Code: 2918300090
WGK_Germany: 3
Hazard_Codes: Xi: Irritant;

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