2,4,4-TRIMETHYLCYCLOPENTANONE

Catalog No: FT-0635397

CAS No: 4694-12-6

Chemical Name: 2,4,4-TRIMETHYLCYCLOPENTANONE
Molecular Formula: C8H14O
Molecular Weight: 126.2
InChI Key: OXTQEWUBDTVSFB-UHFFFAOYSA-N
InChI: InChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3

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:	N/A
CAS:	4694-12-6
MF:	C8H14O
Flash_Point:	45.4±10.7 °C
Product_Name:	UNII:IRJ0Q2WNHK
Density:	0.9±0.1 g/cm3
FW:	126.196
Bolling_Point:	162.8±8.0 °C at 760 mmHg

Refractive_Index:	1.432
Vapor_Pressure:	2.1±0.3 mmHg at 25°C
Flash_Point:	45.4±10.7 °C
LogP:	1.72
Bolling_Point:	162.8±8.0 °C at 760 mmHg
FW:	126.196
PSA:	17.07000
Computational_Chemistry:	['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 136 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 1 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
MF:	C8H14O
Exact_Mass:	126.104462
Molecular_Structure:	['1 . Molar refractive index 3721 ', '2 . Molar volume 1436 ', '3 . Parachor （902K）3202 ', '4 . Surface tension 247 ', '5 . Polarizability 1475']
Density:	0.9±0.1 g/cm3
More_Info:	['1 . Appearance Liquid ', '2 . Density（g/mL,25/4℃）0877 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）-256 ', '5 . Boiling point（ºC,Atmospheric pressure）158~161 ', '6 . Boiling point（ºC,10mmHg）不确定 ', '7 . Refractive index(n18D) 1432 ', '8 . Flash point（ºC）43 ', '9 . Specific rotation（º）不确定 ', '10 燃点（ºC）43 ', '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']