FT-0613245 CAS:4643-27-0 chemical structure

2-OCTEN-4-ONE

Name: 2-OCTEN-4-ONE
Rating: 4.5 (11 reviews)

Catalog No: FT-0613245

CAS No: 4643-27-0

Molecular Formula: 126.2
Formula Weight: C8H14O
Inchl Key: FMDLEUPBHMCPQV-GQCTYLIASA-N
Inchl: InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+

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

FW:	126.19600
CAS:	4643-27-0
Melting_Point:	N/A
Bolling_Point:	180.4ºC at 760 mmHg
MF:	C8H14O
Product_Name:	2-Octen-4-one
Flash_Point:	67.1ºC
Density:	0.833 g/cm3

FW:	126.19600
MF:	C8H14O
Refractive_Index:	1.431
Bolling_Point:	180.4ºC at 760 mmHg
Exact_Mass:	126.10400
PSA:	17.07000
Computational_Chemistry:	['1 . XlogP 21 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 5 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 103 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 1 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
Molecular_Structure:	['1 . Molar refractive index 3919 ', '2 . Molar volume （m3/mol）1513 ', '3 . Parachor （902K）3427 ', '4 . Surface tension 263 ', '5 . Polarizability （10 -24cm 3）1553']
LogP:	2.32180
Flash_Point:	67.1ºC
Density:	0.833 g/cm3
More_Info:	['1 . Appearance Colourless Liquid ', '2 . Density0850 ', '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,10mmHg）66 ', '7 . Refractive index不确定 ', '8 . Flash point（ºF）136 ', '9 . Specific rotation（º，C=1, H2O）不确定 ', '10 燃点（ºC）58 ', '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']