FT-0616208 CAS:1540-36-9 chemical structure

3-N-BUTYL-2,4-PENTANEDIONE

Name: 3-N-BUTYL-2,4-PENTANEDIONE
Rating: 4.5 (11 reviews)

Catalog No: FT-0616208

CAS No: 1540-36-9

Molecular Formula: 156.22
Formula Weight: C9H16O2
Inchl Key: MBXOOYPCIDHXGH-UHFFFAOYSA-N
Inchl: InChI=1S/C9H16O2/c1-4-5-6-9(7(2)10)8(3)11/h9H,4-6H2,1-3H3

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:	1540-36-9
MF:	C9H16O2
Flash_Point:	78.5ºC
Product_Name:	3-Butyl-2,4-pentanedione
Density:	0.927
FW:	156.22200
Bolling_Point:	218ºC at 760mmHg

Refractive_Index:	1.447
Vapor_Pressure:	0.00253mmHg at 25°C
Flash_Point:	78.5ºC
LogP:	1.97080
Bolling_Point:	218ºC at 760mmHg
FW:	156.22200
PSA:	34.14000
Computational_Chemistry:	['1. XlogP :18 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :5 ', '6. TPSA 341 ', '7. Heavy Atom Count :11 ', '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 :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF:	C9H16O2
Exact_Mass:	156.11500
Molecular_Structure:	['1 . Molar refractive index 4376 ', '2 . Molar volume 1717 ', '3 . Parachor （902K）3977 ', '4 . Surface tension : 287 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1734']
Density:	0.927
More_Info:	['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,25/4℃） 0927 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）101-104 ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index 14470 ', '8 . Flash point（ºC） 101-104 ', '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 Insoluble in Water 。']