1-Phenyl-1,2-propanedione
1-Phenyl-1,2-propanedione
  • CAS No.:579-07-7
Other grades of this product :
1-Phenyl-1,2-propanedione Basic information
Product Name:1-Phenyl-1,2-propanedione
Synonyms:2-propanedione;Phenyl-1,2-propanedinone;1-PHENYL-1 2-PROPANEDIONE 98+%;Phenyl-1,2-propanedione;1,2-Propanedione, 1-phenyl-;1-Phenyl-1,2-propaned;1-PHENYL-1,2-PROPANEDIONE 98%;Phenyl-1,2-propanedione, 1-
CAS:579-07-7
MF:C9H8O2
MW:148.16
EINECS:209-435-2
Product Categories:Organics
Mol File:579-07-7.mol
1-Phenyl-1,2-propanedione Chemical Properties
Melting point <20 °C
Boiling point 103-105 °C/14 mmHg (lit.)
density 1.101 g/mL at 25 °C (lit.)
refractive index n20/D 1.532(lit.)
FEMA 3226 | 1-PHENYL-1,2-PROPANEDIONE
Fp 184 °F
storage temp. Inert atmosphere,Room Temperature
solubility Chloroform (Soluble), Hexane (Slightly), Methanol (Slightly)
form Liquid
color Clear yellow
JECFA Number833
InChIKeyBVQVLAIMHVDZEL-UHFFFAOYSA-N
CAS DataBase Reference579-07-7(CAS DataBase Reference)
NIST Chemistry Reference1,2-Propanedione, 1-phenyl-(579-07-7)
EPA Substance Registry System1,2-Propanedione, 1-phenyl- (579-07-7)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 22-36/37/38
Safety Statements 26-36
RIDADR 1224
WGK Germany 3
HazardClass 3
PackingGroup II
HS Code 29143990
MSDS Information
ProviderLanguage
1-Phenyl-1,2-propanedione English
SigmaAldrich English
ACROS English
1-Phenyl-1,2-propanedione Usage And Synthesis
Chemical Properties1-Phenyl-1,2-propanedione has a pungent, plastic odor.
Chemical Propertiesclear yellow liquid
OccurrenceReported found as a constituent in coffee, baked potato and butter.
UsesPyruvophenone was used in the synthesis of opioid receptor agonists for gastrointestinal disorders. The enantioselective hydrogenation of Pyruvophenone over Pt colloids was also studied.
DefinitionChEBI: An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee.
Aroma threshold valuesAroma characteristics at 1.0%: creamy, buttery, fatty, slightly vanillalike, slightly walnut nutty, almond and marzipanlike with a woody styraxlike nuance, and having a slightly sour yeasty and fermented nuance.
Taste threshold valuesTaste characteristics at 5 ppm: cultured creamy, dairylike and slightly astringent with a slight spicy caraway/ cumin nuance.
Synthesis Reference(s)The Journal of Organic Chemistry, 36, p. 3553, 1971 DOI: 10.1021/jo00822a019
General Description1-Phenyl-1,2-propanedione is a volatile flavor compound found in khat leaves and cambará honey.
SynthesisBy oxidation of propiophenone or benzyl methyl ketone with selenium dioxide; by the acid hydrolysis of oximonopropiophenone or other synthetic routes.

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