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PIPERONYL ISOBUTYRATE

Catalog No: FT-0635738

CAS No: 5461-08-5

Chemical Name: PIPERONYL ISOBUTYRATE
Molecular Formula: C12H14O4
Molecular Weight: 222.24
InChI Key: RQULTIASPCVEFO-UHFFFAOYSA-N
InChI: InChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3

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:	5461-08-5
MF:	C12H14O4
Flash_Point:	>230 °F
Product_Name:	piperonyl isobutyrate
Density:	1.154 g/mL at 25 °C(lit.)
FW:	222.23700
Bolling_Point:	91-92 °C0.005 mm Hg(lit.)

Refractive_Index:	n20/D 1.511(lit.)
Flash_Point:	>230 °F
LogP:	2.11450
Bolling_Point:	91-92 °C0.005 mm Hg(lit.)
FW:	222.23700
PSA:	44.76000
Computational_Chemistry:	['1 . XlogP 27 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 448 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 251 ', '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:	C12H14O4
Exact_Mass:	222.08900
Molecular_Structure:	['1 . Molar refractive index 5759 ', '2 . Molar volume 1868 ', '3 . Parachor （902K）4807 ', '4 . Surface tension 438 ', '5 . Polarizability 2283']
Density:	1.154 g/mL at 25 °C(lit.)
More_Info:	['1 . Appearance 微带Yellow 的Liquid 。 ', '2 . Density（g/mL,25/4℃）1154 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）91-92 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1511 ', '8 . Flash point（ºC）>230 ', '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 几乎Insoluble in Water ，可Soluble in 醇。']