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

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

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

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

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

Chemical Properties

1-Phenyl-1,2-propanedione has a pungent, plastic odor.

Chemical Properties

clear yellow liquid

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.

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