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2997-85-5

2997-85-5 structural image
Product Name: Dioctyl fumarate
Formula: C20H36O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 340.5 g/mol
XLogP3 7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 18
Exact Mass 340.26135963 g/mol
Monoisotopic Mass 340.26135963 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 305
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