Chemical Name: b-Ionone
Molecular Formula: C13H20O
Molecular Weight: 192.30
InChI Key: PSQYTAPXSHCGMF-BQYQJAHWSA-N
InChI: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

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

Product_Name:	β-ionone
Flash_Point:	104.4±0.0 °C
Melting_Point:	-49°C
FW:	192.297
Density:	0.9±0.1 g/cm3
CAS:	79-77-6
Bolling_Point:	257.6±0.0 °C at 760 mmHg
MF:	C13H20O

Molecular_Structure:	['1 . Molar refractive index 6170 ', '2 . Molar volume 2036 ', '3 . Parachor （902K）4903 ', '4 . Surface tension 336 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 2446']
Flash_Point:	104.4±0.0 °C
Refractive_Index:	1.512
FW:	192.297
Density:	0.9±0.1 g/cm3
Bolling_Point:	257.6±0.0 °C at 760 mmHg
Computational_Chemistry:	['1 . XlogP 29 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 174 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 292 ', '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']
LogP:	3.86
Melting_Point:	-49°C
PSA:	17.07000
MF:	C13H20O
More_Info:	['1 . Appearance 浅黄to Colourless Liquid ，有紫罗兰香味，但木香香韵更为突出。 ', '2 . Density（g/mL,25℃）0945 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-49 ', '5 . Boiling point（ºC,Atmospheric pressure）124（1333pa） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（n 20/D） 152 ', '8 . Flash point（ºC）112 ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,441ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 Soluble in Ethanol Ethyl ether 丙二醇，微Soluble in Water and 甘油']
Vapor_Pressure:	0.0±0.5 mmHg at 25°C
Exact_Mass:	192.151413

Hazard_Codes:	Xi:Irritant;N:Dangerousfortheenvironment;
RTECS:	EN0500000
Risk_Statements(EU):	R36;R51/53
RIDADR:	UN 3082 9/PG 3
WGK_Germany:	2
Safety_Statements:	S61-S36/37-S26