5-METHYL-3-HEXEN-2-ONE

Catalog No: FT-0648604

CAS No: 5166-53-0

Chemical Name: 5-METHYL-3-HEXEN-2-ONE
Molecular Formula: C7H12O
Molecular Weight: 112.17
InChI Key: IYMKNYVCXUEFJE-SNAWJCMRSA-N
InChI: InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+

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:	Danger
FW:	112.17000
Density:	0.85 g/mL at 25 °C(lit.)
CAS:	5166-53-0
Bolling_Point:	157°C
Product_Name:	5-methyl-3-hexen-2-one
Melting_Point:	N/A
Flash_Point:	118 °F
MF:	C7H12O

Molecular_Structure:	['1 . Molar refractive index 3452 ', '2 . Molar volume 1351 ', '3 . Parachor （902K）3003 ', '4 . Surface tension 243 ', '5 . Polarizability 1368']
LogP:	1.78760
Flash_Point:	118 °F
Refractive_Index:	n20/D 1.44(lit.)
FW:	112.17000
Density:	0.85 g/mL at 25 °C(lit.)
Bolling_Point:	157°C
Computational_Chemistry:	['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 5 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 101 ', '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']
PSA:	17.07000
MF:	C7H12O
More_Info:	['1 . Appearance Colourless to 淡Yellow Liquid ', '2 . Density(g/mL,25°C)08549 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）77(6665pa) ', '6 . Boiling point（ºC,15mmHg）不确定 ', '7 . Refractive index（nD20）144 ', '8 . Flash point（ºC）47 ', '9 . Specific rotation（º）不确定 ', '10 燃点（ºC）48 ', '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']
Exact_Mass:	112.08900

Hazard_Codes:	Xn
Symbol:	Danger
Packing_Group:	III
Hazard_Class:	3
Risk_Statements(EU):	10-20/21/22
HS_Code:	2914190090
RTECS:	MP8750000
Warning_Statement:	P280-P312
Safety_Statements:	S16-S27-S36/37/39-S45
RIDADR:	UN 1992 3/PG 3
WGK_Germany:	3