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1,3-Diphenylacetone

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1,3-Diphenylacetone Basic information

Product Name:
1,3-Diphenylacetone
Synonyms:
  • 1,3-diphenyl-2-propanon
  • 1,3-Diphenylpropanone
  • 2-Oxo-1,3-diphenylpropane
  • 2-Propanone,1,3-diphenyl-
  • alpha,alpha'-Diphenylacetone
  • propanone,1,3-diphenyl-
  • sym-Diphenylacetone
  • 1,3-DIPHENYLPROPAN-2-ONE
CAS:
102-04-5
MF:
C15H14O
MW:
210.27
EINECS:
203-000-0
Product Categories:
  • Aromatic Ketones (substituted)
  • Pyridines
Mol File:
102-04-5.mol
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1,3-Diphenylacetone Chemical Properties

Melting point:
32-34 °C(lit.)
Boiling point:
330 °C(lit.)
Density 
1.04
refractive index 
1.5725 (estimate)
FEMA 
2397 | 1,3-DIPHENYL-2-PROPANONE
Flash point:
>230 °F
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), Methanol (Slightly)
form 
Liquid or Crystalline Mass
color 
Clear yellow
Odor
at 10.00 % in dipropylene glycol. bitter almond benzaldehyde plastic seedy
Odor Type
powdery
Water Solubility 
Slightly soluble in water.
JECFA Number
832
BRN 
974767
Stability:
Stable. Combustible. Incompatible with strong oxidizing agents.
LogP
3.18
CAS DataBase Reference
102-04-5(CAS DataBase Reference)
NIST Chemistry Reference
2-Propanone, 1,3-diphenyl-(102-04-5)
EPA Substance Registry System
2-Propanone, 1,3-diphenyl- (102-04-5)
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Safety Information

Safety Statements 
24/25-22
WGK Germany 
3
RTECS 
EC2030000
TSCA 
Yes
HS Code 
29143990

MSDS

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1,3-Diphenylacetone Usage And Synthesis

Chemical Properties

1,3-Diphenyl-2-propanone has a sweet, faint, fruity odor reminiscent of bitter almond

Physical properties

White crystals or colorless crystalline mass. M.P. 40°C. B.P. 331°C.
1,3-Diphenylacetone is almost insoluble in water, soluble in alcohol and oils, poorly in Propylent glycol. Sweet, but rathtr faint, fruity-almondy odor of considerable tenacity.

Uses

1,3-Diphenylacetone is used in the aldol condensation reaction with benzil (a dicarbonyl) and base to create tetraphenylcyclopentadienone.

Definition

ChEBI: 1,3-Diphenyl-2-propanone is an aromatic compound.

Application

1,3-Diphenylacetone is occasionally used as a trace ingredient in floral perfums compositions, Fougere types, New Mown Hay, etc. wh:re it can act as a modifier for Coumarin, making its odor softer.
Used in fruit flavor compositions, and in imitation Honey, Nut, etc. - mostly in tracss only.

Preparation

By heating α,?α’-phenyl benzyl ethylene glycol or α,?α’-phenyl benzyl ethylene oxide in the presence of diluted H2SO4 or ZnCl2; also by dry distillation of phenylacetate and magnesium chloride (C6H5CH2COOMgCl) or other salts of phenylacetic acid.

Aroma threshold values

Aroma characteristics at 10% in ethanol. Sweet, powdery, and honey with floral rose nuances

Taste threshold values

Taste characteristics at 30 ppm: bitter with floral, rose and honey notes.

Synthesis Reference(s)

The Journal of Organic Chemistry, 33, p. 869, 1968 DOI: 10.1021/jo01266a094

Purification Methods

Fractionally crystallise it from its melt, then crystallise it from pet ether. Store it in the dark. [Beilstein 7 IV 1420.]

1,3-Diphenylacetone Preparation Products And Raw materials

Raw materials

Preparation Products

1,3-DiphenylacetoneSupplier

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