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(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl acetate

Catalog No: FT-0690234

CAS No: 146502-80-9

Chemical Name: (1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl acetate
Molecular Formula: C12H22O2
Molecular Weight: 198.3 g/mol
InChI Key: XHXUANMFYXWVNG-MVWJERBFSA-N
InChI: InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m0/s1

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

Product_Name:	[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
Flash_Point:	90 °F
Melting_Point:	36-38ºC(lit.)
FW:	198.30200
Density:	0.912 g/mL at 25ºC(lit.)
CAS:	146502-80-9
Bolling_Point:	81ºC3 mm Hg(lit.)
MF:	C12H22O2

Flash_Point:	90 °F
Refractive_Index:	1.448
FW:	198.30200
Density:	0.912 g/mL at 25ºC(lit.)
Bolling_Point:	81ºC3 mm Hg(lit.)
Computational_Chemistry:	['1. XlogP :36 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :199 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :3 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	3.01030
Melting_Point:	36-38ºC(lit.)
PSA:	26.30000
MF:	C12H22O2
More_Info:	['1 . Appearance Colourless 晶体 ', '2 . Density（g/mL,25℃）0912 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）36-38 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，3mmHg）81 ', '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（mmHg,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']
Vapor_Pressure:	0.0707mmHg at 25°C
Exact_Mass:	198.16200