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65813-53-8

65813-53-8 structural image
Product Name: 2-PHENYLPROPYL ISOBUTYRATE
Formula: C13H18O2
Synonyms: Hydratropyl isobutyrate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; Fruity floral aroma
Boiling Point 270.00 to 271.00 °C. @ 760.00 mm Hg
Solubility Soluble in oils; Insoluble in water
Density 0.971-0.977
Refractive Index 1.482-1.488

COMPUTED DESCRIPTORS

Molecular Weight 206.28 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 206.130679813 g/mol
Monoisotopic Mass 206.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 193
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes