Chemical Name: 2-benzyl-3,3-dimethylbutanoic acid
Molecular Formula: C13H18O2
Molecular Weight: 206.28
InChI Key: UKWWMMXKMDNJEM-UHFFFAOYSA-N
InChI: InChI=1S/C13H18O2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,15)

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:	132-138ºC1 mm Hg(lit.)
CAS:	53483-12-8
MF:	C13H18O2
Density:	1.032g/cm3
Melting_Point:	66-68ºC(lit.)
Product_Name:	2-Benzyl-3,3-dimethylbutanoic acid
Flash_Point:	210.9ºC
FW:	206.28100

MF:	C13H18O2
Density:	1.032g/cm3
Computational_Chemistry:	['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '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 :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）66-68 ', '5 . Boiling point（ºC,Atmospheric pressure）132-138/1mm Hg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Exact_Mass:	206.13100
Flash_Point:	210.9ºC
PSA:	37.30000
Molecular_Structure:	['1 . Molar refractive index 6045 ', '2 . Molar volume 1998 ', '3 . Parachor （902K）4970 ', '4 . Surface tension 382 ', '5 . Polarizability 2396 ', '6 . Dielectric constant 未确定']
LogP:	2.97600
Bolling_Point:	132-138ºC1 mm Hg(lit.)
FW:	206.28100
Refractive_Index:	1.516
Melting_Point:	66-68ºC(lit.)