3-(5-methylfuran-2-yl)butanal

Catalog No: FT-0728985

CAS No: 31704-80-0

Chemical Name: 3-(5-methylfuran-2-yl)butanal
Molecular Formula: C9H12O2
Molecular Weight: 152.19
InChI Key: DFSVNSCDOZSUCT-UHFFFAOYSA-N
InChI: InChI=1S/C9H12O2/c1-7(5-6-10)9-4-3-8(2)11-9/h3-4,6-7H,5H2,1-2H3

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

Symbol:	GHS02
CAS:	31704-80-0
Flash_Point:	66.9ºC
Product_Name:	3-(5-methylfuran-2-yl)butanal
Bolling_Point:	172.9ºC at 760 mmHg
FW:	152.19000
Melting_Point:	N/A
MF:	C9H12O2
Density:	1.009 g/mL at 25ºC(lit.)

Refractive_Index:	n20/D 1.472(lit.)
Flash_Point:	66.9ºC
LogP:	2.28050
Bolling_Point:	172.9ºC at 760 mmHg
More_Info:	['1 . Appearance Liquid ', '2 . Density（g/mL,20℃）1006 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,19KPa）93-94 ', '7 . Refractive indexn20/D 1472 ', '8 . Flash point（ºC）578 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Unknow']
Computational_Chemistry:	['1 . XlogP 14 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 302 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 134 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '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:	C9H12O2
Exact_Mass:	152.08400
FW:	152.19000
Density:	1.009 g/mL at 25ºC(lit.)
PSA:	30.21000