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 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
Odor	at 10.00 % in propylene glycol. plastic buttery honey
Odor Type	plastic
JECFA Number	833
InChIKey	BVQVLAIMHVDZEL-UHFFFAOYSA-N
LogP	0.82
CAS DataBase Reference	579-07-7(CAS DataBase Reference)
NIST Chemistry Reference	1,2-Propanedione, 1-phenyl-(579-07-7)
EPA Substance Registry System	1,2-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

Provider	Language
1-Phenyl-1,2-propanedione	English
SigmaAldrich	English
ACROS	English

1-Phenyl-1,2-propanedione Usage And Synthesis

Chemical Properties	clear yellow liquid
Chemical Properties	1-Phenyl-1,2-propanedione has a pungent, plastic odor.
Occurrence	Reported found as a constituent in coffee, baked potato and butter.
Uses	Pyruvophenone was used in the synthesis of opioid receptor agonists for gastrointestinal disorders. The enantioselective hydrogenation of Pyruvophenone over Pt colloids was also studied.
Definition	ChEBI: An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee.
Aroma threshold values	Aroma 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 values	Taste 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 Description	1-Phenyl-1,2-propanedione is a volatile flavor compound found in khat leaves and cambará honey.
Synthesis	By oxidation of propiophenone or benzyl methyl ketone with selenium dioxide; by the acid hydrolysis of oximonopropiophenone or other synthetic routes.

1-Phenyl-1,2-propanedione Preparation Products And Raw materials

Raw materials	1-phenyl 1,2-propanedione-2-indole 1-PHENYL-2-OXIME-1, 2-PROPANEDIONE-->2-Propanone, 1-diazo-1-phenyl--->2-hydroxypropiophenone-->TRIBUTYL(1-ETHOXYVINYL)TIN
Preparation Products	BENZYLMETHYLCARBINOL-->1-phenylpropane-1,2-diol-->ETHYL 5-BENZOYL-2-(4-CHLOROANILINO)-1H-PYRROLE-3-CARBOXYLATE

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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