FT-0617225 CAS:80-57-9 chemical structure

4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-ONE

Name: 4,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-EN-2-ONE
Rating: 4.5 (11 reviews)

Catalog No: FT-0617225

CAS No: 80-57-9

Molecular Formula: 150.22
Formula Weight: C10H14O
Inchl Key: DCSCXTJOXBUFGB-SFYZADRCSA-N
Inchl: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1

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:	80-57-9
MF:	C10H14O
Flash_Point:	85 °C
Product_Name:	4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
Density:	0.975 g/mL at 20 °C(lit.)
FW:	150.21800
Bolling_Point:	227-228 °C(lit.)

Refractive_Index:	n20/D 1.496(lit.)
Flash_Point:	85 °C
LogP:	2.17770
Bolling_Point:	227-228 °C(lit.)
FW:	150.21800
PSA:	17.07000
Computational_Chemistry:	['1. XlogP :16 ', '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 :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :248 ', '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:	C10H14O
Exact_Mass:	150.10400
Molecular_Structure:	['1 . Molar refractive index 4409 ', '2 . Molar volume （m3/mol）1514 ', '3 . Parachor （902K）3527 ', '4 . Surface tension 294 ', '5 . Polarizability 1748']
Density:	0.975 g/mL at 20 °C(lit.)
More_Info:	['1 . Appearance 具有类似樟脑薄荷脑芹菜香气的Colourless 黏稠液。 ', '2 . Density（g/mL,25/ 4 ℃ ） 0974g /cm3 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）103～ 104 ℃ （2133kPa) ', '6 . Boiling point（ºC,52kPa）不确定 ', '7 . Refractive index14995 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）+246° ', '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']