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'] |
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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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