ChemicalBook Product Catalog Chemical Reagents Organic reagents Aromatic ketones 1-Phenyl-1,2-propanedione

1-Phenyl-1,2-propanedione

Product Name1-Phenyl-1,2-propanedione
CAS579-07-7
MFC9H8O2
MW148.16
EINECS209-435-2
MOL File579-07-7.mol

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.)
Flash point	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
biological source	synthetic
JECFA Number	833
Major Application	flavors and fragrances
InChI	1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey	BVQVLAIMHVDZEL-UHFFFAOYSA-N
SMILES	CC(=O)C(=O)c1ccccc1
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
TSCA	TSCA listed
HazardClass	3
PackingGroup	II
HS Code	29143990
Storage Class	10 - Combustible liquids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

MSDS

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

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

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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