4-(2,2,6-TRIMETHYLCYCLOHEXYL)-2-BUTANONE

Catalog No: FT-0635993

CAS No: 6138-85-8

Chemical Name: 4-(2,2,6-TRIMETHYLCYCLOHEXYL)-2-BUTANONE
Molecular Formula: C13H24O
Molecular Weight: 196.33 g/mol
InChI Key: PQCDGQHNORPNBR-UHFFFAOYSA-N
InChI: InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10,12H,5-9H2,1-4H3

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

Base Information
Chemical Information

Melting_Point:	N/A
CAS:	6138-85-8
MF:	C13H24O
Flash_Point:	80.3ºC
Product_Name:	4-(2,2,6-trimethylcyclohexyl)butan-2-one
Density:	0.844g/cm3
FW:	196.32900
Bolling_Point:	242.4ºC at 760 mmHg

Refractive_Index:	1.432
Flash_Point:	80.3ºC
LogP:	3.81800
Bolling_Point:	242.4ºC at 760 mmHg
FW:	196.32900
PSA:	17.07000
Computational_Chemistry:	['1. XlogP :39 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '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 :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF:	C13H24O
Exact_Mass:	196.18300
Molecular_Structure:	['1 . Molar refractive index 6032 ', '2 . Molar volume 2325 ', '3 . Parachor （902K）5313 ', '4 . Surface tension 272 ', '5 . Polarizability 2391']
Density:	0.844g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）09101 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，13mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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']