

2',3',4',5',6'-PENTAMETHYLACETOPHENONE
Catalog No: FT-0609333
CAS No: 2040-01-9
- Molecular Formula: 190.28
- Formula Weight: C13H18O
- Inchl Key: CTTYWXDVWGKHKJ-UHFFFAOYSA-N
- Inchl: InChI=1S/C13H18O/c1-7-8(2)10(4)13(12(6)14)11(5)9(7)3/h1-6H3
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Melting_Point: | 84-86 °C(lit.) |
---|---|
CAS: | 2040-01-9 |
MF: | C13H18O |
Flash_Point: | 131ºC |
Product_Name: | 1-(2,3,4,5,6-pentamethylphenyl)ethanone |
Density: | 0.94g/cm3 |
FW: | 190.28100 |
Bolling_Point: | 311.4ºC at 760mmHg |
Refractive_Index: | 1.508 |
---|---|
Vapor_Pressure: | 0.000564mmHg at 25°C |
Flash_Point: | 131ºC |
LogP: | 3.43120 |
Bolling_Point: | 311.4ºC at 760mmHg |
PSA: | 17.07000 |
Molecular_Structure: | ['1. Molar refractive index 604 ', '2. Molar volume 2023 ', '3. Parachor (902K)4806 ', '4. Surface tension 318 ', '5. Dielectric constant N/A ', '6. Polarizability 2394 ', '7. Single isotope mass 190135765Da ', '8. Nominal mass 190Da ', '9. Average mass 1902814Da'] |
Computational_Chemistry: | ['1 . XlogP 34 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 205 ', '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: | 84-86 °C(lit.) |
MF: | C13H18O |
Exact_Mass: | 190.13600 |
FW: | 190.28100 |
Density: | 0.94g/cm3 |
More_Info: | ['1 . Appearance Solid ', '2 . Density(g/mL,20ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)82-84 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,10mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(°F)Unknow ', '9 . Specific rotation(ºF)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(hPa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,25ºC)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 Unknow'] |
RIDADR: | NONH for all modes of transport |
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Safety_Statements: | S22-S24/25 |
HS_Code: | 2914399090 |
WGK_Germany: | 3 |
Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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