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97-45-0

97-45-0 structural image
Product Name: (-)-CARVYL PROPIONATE
Formula: C13H20O2
Synonyms: (−)-Carvyl propionate, mixture of isomers
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless slightly oily liquid with a minty-spearminty herbaceous odour
Boiling Point 78.00 to 80.00 °C. @ 0.20 mm Hg
Solubility insoluble in water; soluble in alcohol and most fixed oils
Density 0.942-0.962
Refractive Index 1.469-1.479
Kovats Retention Index 1441 1440 1440

COMPUTED DESCRIPTORS

Molecular Weight 208.30 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 208.146329876 g/mol
Monoisotopic Mass 208.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 289
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes