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126-13-6

126-13-6 structural image
Product Name: SUCROSE ACETATE ISOBUTYRATE
Formula: C40H62O19
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear semi-solid or 90% solution in ethanol; [Hawley] Light yellow viscous liquid; [MSDSonline]
Color/Form CLEAR SEMI-SOLID
Density 1.146 @ 25 °C/25 °C
Chemical Classes Other Classes -> Other Organic Compounds

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H225:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P243:Take precautionary measures against static discharge.

COMPUTED DESCRIPTORS

Molecular Weight 846.9 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 27
Exact Mass 846.38852974 g/mol
Monoisotopic Mass 846.38852974 g/mol
Topological Polar Surface Area 238 Ų
Heavy Atom Count 59
Formal Charge 0
Complexity 1500
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes