Chemical Name: 13(S)-HYDROPEROXY-(9Z,11E,15Z)-OCTADECATRIENOIC ACID
Molecular Formula: C18H30O4
Molecular Weight: 310.4
InChI Key: UYQGVDXDXBAABN-FQSPHKRJSA-N
InChI: InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7-,11-3-,15-12+/t17-/m0/s1

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

Base Information
Chemical Information

Product_Name:	13(s)-hydroperoxy-(9z,11e,15z)-octadecatrienoic acid
Bolling_Point:	454.5±40.0 °C at 760 mmHg
Density:	1.0±0.1 g/cm3
MF:	C18H30O4
CAS:	67597-26-6
Melting_Point:	N/A
Flash_Point:	154.0±20.8 °C
FW:	310.428

MF:	C18H30O4
Bolling_Point:	454.5±40.0 °C at 760 mmHg
Exact_Mass:	310.214417
More_Info:	['1 . Appearance Colourless 透明Liquid 。 ', '2 . Density（g/mL,25/4℃）0815 ', '3 . Relative vapor density（g/mL,Atmosphere =1）16 ', '4 . Melting point（ºC）-117 ', '5 . Boiling point（ºC,Atmospheric pressure）785 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）156 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）371-427 ', '11 . Vapor pressure（kPa,25ºC）533 ', '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）33 ', '18 . Lower limit of explosion（%,V/V）19 ', '19 . Solubility 与 Ethanol ，丙酮， Ethyl ether ，Water 混溶。']
PSA:	66.76000
Flash_Point:	154.0±20.8 °C
Computational_Chemistry:	['1 . XlogP 48 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 14 ', '5 . TPSA 668 ', '6 . Heavy Atom Count 22 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 345 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 1 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 3 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Density:	1.0±0.1 g/cm3
Molecular_Structure:	['1 . Molar refractive index 9041 ', '2 . Molar volume （m3/mol）3053 ', '3 . Parachor （902K）7654 ', '4 . Surface tension 394 ', '5 . Polarizability 3584']
Vapor_Pressure:	0.0±2.5 mmHg at 25°C
FW:	310.428
LogP:	5.69
Refractive_Index:	1.504