5-(4-Methoxyphenyl)cyclohexane-1,3-dione

Catalog No: FT-0679267

CAS No: 1774-12-5

Chemical Name: 5-(4-Methoxyphenyl)cyclohexane-1,3-dione
Molecular Formula: C13H14O3
Molecular Weight: 218.25
InChI Key: AHYCBDWPHFFKFK-UHFFFAOYSA-N
InChI: InChI=1S/C13H14O3/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,10H,6-8H2,1H3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	179.5-183.5ºC(lit.)
CAS:	1774-12-5
MF:	C13H14O3
Flash_Point:	177.4ºC
Product_Name:	5-(4-Methoxyphenyl)cyclohexane-1,3-dione
Density:	1.163g/cm3
FW:	218.24800
Bolling_Point:	394.4ºC at 760 mmHg

Refractive_Index:	1.542
Vapor_Pressure:	1.98E-06mmHg at 25°C
Flash_Point:	177.4ºC
LogP:	2.10090
Bolling_Point:	394.4ºC at 760 mmHg
PSA:	43.37000
Molecular_Structure:	['1 . Molar refractive index 5905 ', '2 . Molar volume （m3/mol）1876 ', '3 . Parachor （902K）4814 ', '4 . Surface tension 433 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）2141']
Computational_Chemistry:	['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA 434 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :261 ', '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:	179.5-183.5ºC(lit.)
MF:	C13H14O3
Exact_Mass:	218.09400
FW:	218.24800
Density:	1.163g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）1795-1835 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,2mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（hPa,377ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']

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HS_Code:	2914509090
Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter