1-Phenyl-1,2-propanedione
Synonym(s):Acetyl benzoyl
- CAS NO.:579-07-7
- Empirical Formula: C9H8O2
- Molecular Weight: 148.16
- MDL number: MFCD00008755
- EINECS: 209-435-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 13:37:16
What is 1-Phenyl-1,2-propanedione?
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.
The Uses of 1-Phenyl-1,2-propanedione
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.
Properties of 1-Phenyl-1,2-propanedione
Melting point: | <20 °C |
Boiling point: | 103-105 °C/14 mmHg (lit.) |
Density | 1.101 g/mL at 25 °C (lit.) |
refractive index | n |
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 |
JECFA Number | 833 |
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 for 1-Phenyl-1,2-propanedione
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1-Phenyl-1,2-propanedione
InChIKey | BVQVLAIMHVDZEL-UHFFFAOYSA-N |
1-Phenyl-1,2-propanedione manufacturer
Baba Fine Chemicals
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