3-CHLORO-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE

Catalog No: FT-0615435

CAS No: 17530-69-7

Molecular Formula: 158.62
Formula Weight: C8H11ClO
Inchl Key: PJYTYJGMJDIKEJ-UHFFFAOYSA-N
Inchl: InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	N/A
CAS:	17530-69-7
MF:	C8H11ClO
Flash_Point:	44-46°C/0.1mm
Product_Name:	3-chloro-5,5-dimethylcyclohex-2-en-1-one
Density:	1,084 g/cm3
FW:	158.62500
Bolling_Point:	44-46°C 0,1mm

Refractive_Index:	1.488
Vapor_Pressure:	0.131mmHg at 25°C
Flash_Point:	44-46°C/0.1mm
LogP:	2.49820
Bolling_Point:	44-46°C 0,1mm
FW:	158.62500
PSA:	17.07000
Computational_Chemistry:	['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :5 ', '6. TPSA 171 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :191 ', '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']
MF:	C8H11ClO
Exact_Mass:	158.05000
Molecular_Structure:	['1 . Molar refractive index 4167 ', '2 . Molar volume （m3/mol）1445 ', '3 . Parachor （902K）3450 ', '4 . Surface tension 325 ', '5 . Polarizability 1652']
Density:	1,084 g/cm3
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL,25/4℃）1084 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC, 01mmHg）44-46 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）44-46/01mmHg ', '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']