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93-91-4

93-91-4 structural image
Product Name: Benzoylacetone
Formula: C10H10O2
Synonyms: 1-Phenyl-1,3-butanedione;Benzoylacetone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow crystalline powder; [Acros Organics MSDS]
Kovats Retention Index 1656
Chemical Classes Other Classes -> Aromatic Ketones

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 162.18 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 162.068079557 g/mol
Monoisotopic Mass 162.068079557 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 12
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

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