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56-25-7

56-25-7 structural image
Product Name: Cantharidin
Formula: C10H12O4
Synonyms: 3a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione;7a-Dimethylhexahydro-3a,4,7-epoxyisobenzofuran;Cantharidine;Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Cantharidin appears as brown to black powder or plates or scales. Formerly used as a counterirritant and vesicant. Used for the removal of warts. Used as an experimental anti tumor agent. Active ingredient in spanish fly, a reputed aphrodisiac. (EPA, 1998)
Color/Form Orthorhombic plates, scales
Boiling Point Sublimes at 230 °F (EPA, 1998)
Melting Point 424 °F (EPA, 1998)
Solubility Insol in cold water; somewhat sol in hot water; 1 g dissolves in 40 ml acetone, 65 ml chloroform; 1 g dissolves in 560 ml ether, 150 ml ethyl acetate; sol in oils.
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Kovats Retention Index 1457 1468 1472 1490
Other Experimental Properties Sublimes at about 110 °C (12 mm Hg, 3-5 mm distance)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 196.20 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 196.07355886 g/mol
Monoisotopic Mass 196.07355886 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 318
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Cantharidin appears as brown to black powder or plates or scales. Formerly used as a counterirritant and vesicant. Used for the removal of warts. Used as an experimental anti tumor agent. Active ingredient in spanish fly, a reputed aphrodisiac. (EPA, 1998)