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Catalog No: FT-0698485

CAS No: 504-20-1

Chemical Name: 2,6-Dimethyl-2,5-heptadien-4-one
Molecular Formula: C9H14O
Molecular Weight: 138.21 g/mol
InChI Key: MTZWHHIREPJPTG-UHFFFAOYSA-N
InChI: InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3

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:	23-26 °C(lit.)
CAS:	504-20-1
MF:	C9H14O
Flash_Point:	79.4±0.0 °C
Product_Name:	Phorone
Density:	0.9±0.1 g/cm3
FW:	138.207
Bolling_Point:	198.5±9.0 °C at 760 mmHg

Refractive_Index:	1.454
Vapor_Pressure:	0.4±0.4 mmHg at 25°C
Flash_Point:	79.4±0.0 °C
LogP:	2.76
Bolling_Point:	198.5±9.0 °C at 760 mmHg
PSA:	17.07000
Molecular_Structure:	['1 . Molar refractive index 4357 ', '2 . Molar volume 1610 ', '3 . Parachor （902K）3620 ', '4 . Surface tension 255 ', '5 . Polarizability 1727']
Vapor_Density:	4.8 (vs air)
Computational_Chemistry:	['1. XlogP :28 ', '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 :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :157 ', '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']
Melting_Point:	23-26 °C(lit.)
MF:	C9H14O
Exact_Mass:	138.104462
FW:	138.207
Density:	0.9±0.1 g/cm3
More_Info:	['1 . Appearance Yellow Liquid ，冷时为黄绿色柱状晶体，有特殊香味。 ', '2 . Density（g/mL,20/4ºC）08850 ', '3 . Relative vapor density（g/cm3,Atmosphere =1）48 ', '4 . Melting point（ºC）277 ', '5 . Boiling point（ºC,Atmospheric pressure）197 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（20ºC）14995 ', '8 . Flash point（ºC,开口）85 ', '9 黏度（mPa·s）13940 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）038 ', '12 . Saturated vapor pressure（kPa,42ºC）013 ', '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 能与 Ethanol Ethyl ether 等多数有机溶剂混溶。能溶解硝酸纤维素，醋酸纤维素聚苯乙烯乙烯基树脂橡胶and 蜡等。50℃时在Water 中的溶解度为01%。']