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616-02-4

616-02-4 structural image
Product Name: Citraconic anhydride
Formula: C5H4O3
Synonyms: 2-Methylmaleic anhydride;3-Methyl-2,5-furandione;Citraconic acid anhydride;Methylmaleic anhydride;Monomethylmaleic anhydride
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; mp = 7-8 deg C; [Hawley] Clear almost colorless liquid; mp = 7 deg C; [MSDSonline]
Color/Form COLORLESS LIQUID
Boiling Point 213-214 °C @ 760 MM HG
Melting Point 7-8 °C
Solubility SOL IN ALCOHOL, ETHER, ACETONE
Density 1.2469 @ 16 °C/4 °C
Vapor Pressure 1 MM HG @ 47.1 °C
Refractive Index Index of refraction: 1.4716 at 21 °C/D
Kovats Retention Index 941 949 952
Other Experimental Properties DECOMP IN WATER
Chemical Classes Plastics & Rubber -> Acid Anhydrides, Cyclic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Health Hazard
GHS08
GHS Hazard Statements H314:Skin corrosion/irritation
H317:Sensitisation, Skin
H334:Sensitisation, respiratory
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P272:Contaminated work clothing should not be allowed out of the workplace.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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 112.08 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 112.016043985 g/mol
Monoisotopic Mass 112.016043985 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 178
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Citraconic anhydride is a natural product found in Coffea arabica and Schisandra chinensis with data available.