Molecular Formula: 206.28
Formula Weight: C13H18O2
Inchl Key: JIMGVOCOYZFDKB-UHFFFAOYSA-N
Inchl: InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	N/A
CAS:	140-26-1
MF:	C13H18O2
Flash_Point:	108.0±17.1 °C
Product_Name:	Phenylethyl isovalerate
Density:	1.0±0.1 g/cm3
FW:	206.281
Bolling_Point:	281.9±9.0 °C at 760 mmHg

Refractive_Index:	1.494
Vapor_Pressure:	0.0±0.6 mmHg at 25°C
Flash_Point:	108.0±17.1 °C
LogP:	3.71
Bolling_Point:	281.9±9.0 °C at 760 mmHg
PSA:	26.30000
Molecular_Structure:	['1. Molar refractive index 6069 ', '2. Molar volume 2086 ', '3. Parachor （902K）5049 ', '4. Surface tension 342 ', '5. Dielectric constant N/A ', '6. Polarizability 2406 ', '7. Single isotope mass 20613068 Da ', '8. Nominal mass 206 Da ', '9. Average mass 2062808 Da']
Computational_Chemistry:	['1 . XlogP 36 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 181 ', '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']
MF:	C13H18O2
Exact_Mass:	206.130676
FW:	206.281
Density:	1.0±0.1 g/cm3
More_Info:	['1 . Appearance Colourless to 微Yellow ，菊花Water 果香甜味and 玫瑰香气Liquid ', '2 . Density（g/mL,25℃）0974 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）268 ', '6 . Boiling point（ºC,8mmHg）Unknow ', '7 . Refractive index(n20/D)1485（lit） ', '8 . Flash point（ºC）＞110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,83-85ºC）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 Unknow']

WGK_Germany:	1
Personal_Protective_Equipment:	Eyeshields;Gloves
RTECS:	NY1511500
RIDADR:	NONH for all modes of transport
Safety_Statements:	S24/25
HS_Code:	2915600000