Product_Name:	2-isopropyl-6-methylphenyl isocyanate
Flash_Point:	131ºC
Melting_Point:	N/A
FW:	175.22700
Density:	1.008
CAS:	102561-43-3
Bolling_Point:	92ºC(3 torr)
MF:	C11H13NO

Molecular_Structure:	['1. Molar refractive index 5403 ', '2. Molar volume 1804 ', '3. Parachor （902K）4271 ', '4. Surface tension 313 ', '5. Dielectric constant N/A ', '6. Polarizability 2142 ', '7. Single isotope mass 175099714 Da ', '8. Nominal mass 175 Da ', '9. Average mass 175227 Da']
LogP:	3.08570
Flash_Point:	131ºC
Refractive_Index:	n20/D 1.526(lit.)
FW:	175.22700
Density:	1.008
Bolling_Point:	92ºC(3 torr)
Computational_Chemistry:	['1. XlogP :42 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 294 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :206 ', '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']
PSA:	29.43000
MF:	C11H13NO
More_Info:	['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,25℃）1008 ', '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，3mmHg）92 ', '7 . Refractive index(n20/D)1526 ', '8 . Flash point（ºC）103 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 可Water 解']
Vapor_Pressure:	0.0326mmHg at 25°C
Exact_Mass:	175.10000

Hazard_Codes:	Xn: Harmful;
Risk_Statements(EU):	R20/22;R36/37/38;R42
Packing_Group:	III
Hazard_Class:	6.1
RIDADR:	UN 2206 6.1/PG 3
HS_Code:	2929109000
Safety_Statements:	S23-S26-S36/37/39-S45