1-phenyl-1,2-propane dione

1-phenyl-1,2-propanedione

CAS: 579-07-7 C9 H8 O2 MW: 148.16116000 plastic caramellic

Identification

Name1-phenyl-1,2-propane dione
IUPAC1-phenylpropane-1,2-dione
CAS Number579-07-7
EINECS209-435-2
FDA UNIIZB5XA3GD0I
Molecular FormulaC9 H8 O2
Molecular Weight148.16116000
MDL NumberMFCD00008755
Nikkaji NumberJ95.015G
CoE Number2275
XlogP31.70 (est)

Regulatory

JECFA Food Flavoring833 1-phenyl-1,2-propanedione
DG SANTE Food Flavourings07.079 1-phenylpropan-1,2-dione
FEMA Number3226
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)579-07-7 ; 1-PHENYL-1,2-PROPANEDIONE

Physical Properties

Appearance yellow clear oily liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.09600 to 1.11600 @ 20.00 °C.
Pounds per Gallon - (est). 9.130 to 9.297
Refractive Index 1.52600 to 1.53600 @ 20.00 °C.
Melting Point 18.00 to 19.00 °C. @ 760.00 mm Hg
Boiling Point 103.00 to 105.00 °C. @ 14.00 mm Hg, 222.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.075000 mmHg @ 25.00 °C. (est)
Flash Point 184.00 °F. TCC ( 84.44 °C. )
logP (o/w) 1.169 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description
at 10.00 % in propylene glycol.
butter; medicinal; green; vegetable; pepper
Taste Description caramellic cocoa whey nutty

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Maximised Survey-derived Daily Intakes (MSDI-EU)4.90 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)0.10 (μg/capita/day)
Threshold of Concern540 (μg/person/day)
Structure ClassII
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

Beijing Lys Chemicals Co, LTD.

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Synerzine, Inc.

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Synerzine is a leading supplier of flavor and fragrance ingredients.

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Potential Uses

FR coffee

Natural Occurrence

butter PMC coffee PMC potato baked potato

Synonyms

acetyl benzoyl benzoyl methyl ketone benzoylacetyl methyl phenyl diketone methyl phenyl glyoxal methylphenylglyoxal phenyl methyl diketone 1- phenyl propane-1,2-dione 1- phenyl-1,2-dioxopropane 1- phenyl-1,2-propandione 1- phenyl-1,2-propanedione 3- phenyl-2,3-propane dione 3- phenyl-2,3-propanedione phenylmethyldiketone 1- phenylpropan-1,2-dione 1- phenylpropane-1,2-dione propane-1,2-dione, 1-phenyl- 1,2- propanedione, 1-phenyl- pyruvophenone US Patents: 3,952,024 - Furfurylthioacetone PubMed: Dynamic mechanical thermal analysis of composite resins with CQ and PPD as photo-initiators photoactivated by QTH and LED units. US Patents: Certain 2,5-dimethyl-3-thiopyrazines PubMed: Cyanoacrylate-POSS nanocomposites: novel adhesives with improved properties for dental applications. PubMed: Color stability of experimental composites containing different photoinitiators. PubMed: Interaction of LED light with coinitiator-containing composite resins: effect of dual peaks. PubMed: Photo-crosslinkable cyanoacrylate bioadhesive: shrinkage kinetics, dynamic mechanical properties, and biocompatibility of adhesives containing TMPTMA and POSS nanostructures as crosslinking agents. PubMed: Synthesis and application of chloromethylated polystyrene modified with 1-phenyl-1,2-propanedione-2-oxime thiosemicarbazone (PPDOT) as a new sorbent for the on-line preconcentration and determination of copper in water, soil, and food samples by FAAS. PubMed: Can phenyl-propanedione influence Knoop hardness, rate of polymerization and bond strength of resin composite restorations? PubMed: Light-curing of dental resins with GaN violet laser diode: the effect of photoinitiator on mechanical strength. PubMed: Effect of different photo-initiators and light curing units on degree of conversion of composites. PubMed: Chiral Pt/ZrO2 catalysts. Enantioselective hydrogenation of 1-phenyl-1,2-propanedione. PubMed: In vitro photosensitization initiated by camphorquinone and phenyl propanedione in dental polymeric materials. PubMed: Characterization of two aldo-keto reductases from Gluconobacter oxydans 621H capable of regio- and stereoselective alpha-ketocarbonyl reduction. PubMed: Effect of various visible light photoinitiators on the polymerization and color of light-activated resins. PubMed: Experimental and theoretical analysis of asymmetric induction in heterogeneous catalysis: diastereoselective hydrogenation of chiral alpha-hydroxyketones over Pt catalyst. PubMed: Alternative photoinitiator system reduces the rate of stress development without compromising the final properties of the dental composite. PubMed: Analytical properties of 1-phenyl-1,2-propanedione-2-oxime thiosemicarbazone: simultaneous spectrophotometric determination of copper(II) and nickel(II) in edible oils and seeds. PubMed: Effect of co-initiator ratio on the polymer properties of experimental resin composites formulated with camphorquinone and phenyl-propanedione. PubMed: A combined NMR, DFT, and X-ray investigation of some cinchona alkaloid O-ethers. PubMed: Direct determination of ephedrine intermediate in a biotransformation reaction using infrared spectroscopy and PLS. PubMed: Influence of photoinitiator type on the rate of polymerization, degree of conversion, hardness and yellowing of dental resin composites. PubMed: Simultaneous determination of Cu(II) and Ag(I) on SP Sephadex C25 as complexes with 1-phenyl-1,2-propanedione-2-oximethiosemicarbazone by derivative spectrophotometry. PubMed: Developmental patterns of phenylpropylamino alkaloids accumulation in khat (Catha edulis, Forsk.). PubMed: Photopolymerization of N,N-dimethylaminobenzyl alcohol as amine co-initiator for light-cured dental resins. PubMed: Photoinitiation chemistry affects light transmission and degree of conversion of curing experimental dental resin composites. PubMed: Conformational flexibility, UV-induced decarbonylation, and FTIR spectra of 1-phenyl-1,2 propanedione in solid xenon and in the low temperature amorphous phase. PubMed: Hep27, a member of the short-chain dehydrogenase/reductase family, is an NADPH-dependent dicarbonyl reductase expressed in vascular endothelial tissue. PubMed: The initiating radical yields and the efficiency of polymerization for various dental photoinitiators excited by different light curing units. PubMed: Effect of ultrasound in enantioselective hydrogenation of 1-phenyl-1,2-propanedione: comparison of catalyst activation, solvents and supports. PubMed: Molecular probe for a fluorous medium: long-lived phosphorescence of alpha-diketones in perfluoromethylcyclohexane at room temperature. PubMed: Influence of light-curing procedures and photo-initiator/co-initiator composition on the degree of conversion of light-curing resins. PubMed: Utilisation of on-line acoustic irradiation as a means to counter-effect catalyst deactivation in heterogeneous catalysis. PubMed: Novel laser-induced luminescence resulting from benzophenone/O-propylated p-tert-butylcalix[4]arene complexes. A diffuse reflectance study. PubMed: Microbial degradation of illicit drugs, their precursors, and manufacturing by-products: implications for clandestine drug laboratory investigation and environmental assessment. PubMed: Influence of composition on rate of polymerization contraction of light-curing resin composites. PubMed: Trifluoromethyl ketones show culture age-dependent inhibitory effects on low K(+)-induced apoptosis in cerebellar granule neurons. PubMed: Intercalation of multiple carbon atoms between the carbonyls of alpha-diketones. PubMed: SPME/GC-MS characterization of volatiles associated with methamphetamine: toward the development of a pseudomethamphetamine training material. PubMed: Enantioseparation of amfepramone (rac-diethylpropion): preparative separation of the enantiomers and enantioselective analysis. PubMed: Development of a new photoinitiation system for dental light-cure composite resins. PubMed: Inhibition of the reconstituted mitochondrial oxoglutarate carrier by arginine-specific reagents. PubMed: Microencapsulation of yeast cells and their use as a biocatalyst in organic solvents. PubMed: Potentiometric study of complex formation equilibria of alpha-oxooximes with copper(II) and nickel(II) and ions. PubMed: Studies on the compatibility of diethylpropion hydrochloride with carboxymethylcellulose and other dietary fibres. PubMed: Photochemical inactivation of human placental estradiol 17 beta-dehydrogenase in the presence of 2,3-butanedione. PubMed: Stereospecific metabolic reduction of ketones. PubMed: Determination of N-methylurea: comparison of two colorimetric methods using diacetyl monoxime or alpha-isonitropropiophenone. PubMed: Oxidation, photosensitized by certain diketones, of enzymes and protection against such oxidation by histidine derivatives. PubMed: The effects of cofactor and species differences on the in vitro metabolism of propiophenone and phenylacetone. PubMed: Influence of pH on hydrolytic decomposition of diethylpropion hydrochloride: stability studies on drug substance and tablets using high-performance liquid chromatography. PubMed: The chemistry of khat. PubMed: Investigation of reaction intermediates of the urea-diacetylmonoxime reaction. PubMed: High-performance liquid chromatographic determination of diethylpropion hydrochloride in tablets: isolation and identification of two decomposition products. PubMed: Novel synthesis of imidazole derivatives from 1-phenyl-1,2-propanedione and methylguanidine. PubMed: Urea and its formation in coelacanth liver.