1-Phenyl-1,2-propanedione

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-Phenyl-1,2-propaned;1-PHENYL-1,2-PROPANEDIONE 98%;Phenyl-1,2-propanedione, 1-;Acetyl Benzoyl, (3-Phenyl-2,3 Propanedione)
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 Structure
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.)
FEMA 3226 | 1-PHENYL-1,2-PROPANEDIONE
refractive index n20/D 1.532(lit.)
Fp 184 °F
storage temp. Inert atmosphere,Room Temperature
solubility Chloroform (Soluble), Hexane (Slightly), Methanol (Slightly)
form Liquid
color Clear yellow
Odorat 10.00 % in propylene glycol. plastic buttery honey
Odor Typeplastic
JECFA Number833
InChIKeyBVQVLAIMHVDZEL-UHFFFAOYSA-N
LogP0.82
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 Propertiesclear yellow liquid
Chemical Properties1-Phenyl-1,2-propanedione has a pungent, plastic odor.
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.
4-AMINONAPHTHALENE-1,2-DIONE 1-[4-(2-Oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione 1-(5-CHLORO-2-HYDROXYPHENYL)-3-(4-CHLORO-PHENYL)-1,3-PROPANEDIONE 1-(2,5-Dimethoxyphenyl)-2-oximino-1-propanone POTASSIUM 1,2-NAPHTHOQUINONE-4-SULFONIC ACID 4,4'-Dichlorobenzil 1-[4-(Benzoyloxy)-2-hydroxyphenyl]-3-phenyl-1,3-propanedione 1-{2-nitrophenyl}-3-phenyl-1,3-propanedione 1-(4-Nitrophenyl)-1,2-propanedione 5,6-CHRYSENEQUINONE P-METHOXYBENZIL 1,2-ACEANTHRYLENEDIONE PHENYL VALERATE 2-CHLORO-3' 4'-DIMETHOXYBENZIL 97 1-Phenyl-1,2-propanedione 1-oxime 1-Phenyl-2-nitropropene Benzil 3,3,3-TRIFLUORO-1-PHENYL-1,2-PROPANEDIONE HYDRATE

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