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105-75-9

105-75-9 structural image
Product Name: Dibutyl fumarate
Formula: C12H20O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear nearly colorless liquid; [Acros Organics MSDS]
Kovats Retention Index 1558 1556
Chemical Classes Other Classes -> Esters, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 228.28 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 10
Exact Mass 228.13615911 g/mol
Monoisotopic Mass 228.13615911 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 209
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes