Phenylacetic acid isobutyl ester

Catalog No: FT-0631546

CAS No: 102-13-6

Chemical Name: Phenylacetic acid isobutyl ester
Molecular Formula: C12H16O2
Molecular Weight: 192.25 g/mol
InChI Key: RJASFPFZACBKBE-UHFFFAOYSA-N
InChI: InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

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

Bolling_Point:	247.0±0.0 °C at 760 mmHg
Symbol:	GHS07
MF:	C12H16O2
Melting_Point:	N/A
Flash_Point:	100.7±17.1 °C
FW:	192.254
Product_Name:	EGLANTINE
CAS:	102-13-6
Density:	1.0±0.1 g/cm3

PSA:	26.30000
Bolling_Point:	247.0±0.0 °C at 760 mmHg
Molecular_Structure:	['1 . Molar refractive index 5606 ', '2 . Molar volume 1921 ', '3 . Parachor （902K）4651 ', '4 . Surface tension 343 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3）7 . Polarizability 2222']
LogP:	3.38
More_Info:	['1 . Appearance Colourless 透明Liquid ', '2 . Density（g/mL,18℃）0999 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）247 ', '6 . Boiling point（ºC, kPa）Unknow ', '7 . Refractive index1487 ', '8 . Flash point（ºC）116 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,202ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 Insoluble in Water and 甘油，Soluble in Ethanol and Ethyl ether 。']
MF:	C12H16O2
Computational_Chemistry:	['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 169 ', '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']
Refractive_Index:	1.495
Flash_Point:	100.7±17.1 °C
FW:	192.254
Exact_Mass:	192.115036
Vapor_Pressure:	0.0±0.5 mmHg at 25°C
Density:	1.0±0.1 g/cm3

Hazard_Codes:	Xi:Irritant;
Symbol:	GHS07
RTECS:	CY1681950
WGK_Germany:	2
HS_Code:	2915600000
Safety_Statements:	H315-H319-H335
RIDADR:	NONH for all modes of transport
Warning_Statement:	P261-P305 + P351 + P338
Personal_Protective_Equipment:	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Risk_Statements(EU):	R36/37/38