4-TERT-BUTYLPHENOXYACETIC ACID

Catalog No: FT-0633849

CAS No: 1798-04-5

Chemical Name: 4-TERT-BUTYLPHENOXYACETIC ACID
Molecular Formula: C12H16O3
Molecular Weight: 208.25
InChI Key: FBIGAJNVRFKBJL-UHFFFAOYSA-N
InChI: InChI=1S/C12H16O3/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)

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:	96 °C(lit.)
CAS:	1798-04-5
MF:	C12H16O3
Flash_Point:	120.8ºC
Product_Name:	4-tert-Butylphenoxyacetic acid
Density:	1.088g/cm3
FW:	208.25400
Bolling_Point:	325.4ºC at 760mmHg

Refractive_Index:	1.513
Vapor_Pressure:	9.43E-05mmHg at 25°C
Flash_Point:	120.8ºC
LogP:	2.44750
Bolling_Point:	325.4ºC at 760mmHg
Water_Solubility:	Very slightly soluble (0.56 g/L) (25 ºC)
FW:	208.25400
PSA:	46.53000
Computational_Chemistry:	['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 465 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 209 ', '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:	96 °C(lit.)
MF:	C12H16O3
Exact_Mass:	208.11000
Density:	1.088g/cm3