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13494-07-0

13494-07-0 structural image
Product Name: 3,5-Dimethyl-1,2-cyclopentanedione
Formula: C7H10O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dark brown liquid; [HSDB] Dark brown liquid with an odor of burnt sugar; [MSDSonline]
Color/Form AMORPHOUS; DARK BROWN
Odor ODOR OF BURNT SUGAR
Taste PLEASANT, BITTER TASTE
Melting Point 91 - 92 °C
Solubility MISCIBLE WITH WATER IN ALL PROPORTIONS; MISCIBLE WITH DILUTE ALCOHOL UP TO 55% BY VOLUME; IMMISCIBLE WITH SOLVENT HEXANE
Density ABOUT 1.35
Stability/Shelf Life IN MOST PRODUCTS, CARAMEL HAS VERY GOOD STABILITY
Kovats Retention Index 1044
Other Experimental Properties COMPOSITIION IS COMPLEX & INDEFINITE, FORMING A COLLOID IN AQ SUBSTRATES; COLLOIDS CARRY AN ELECTRICAL CHARGE; @ PH ABOVE ISOELECTRIC POINT, CARAMEL IS NEGATIVELY CHARGED; @ PH BELOW ISOELECTRIC POINT, CARAMEL IS POSITIVELY CHARGED
Chemical Classes UVCB

COMPUTED DESCRIPTORS

Molecular Weight 126.15 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 126.068079557 g/mol
Monoisotopic Mass 126.068079557 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 142
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