Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | yellow clear oily liquid (est) |
Assay: | 97.00 to 100.00 %
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 1.09600 to 1.11600 @ 20.00 °C.
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Pounds per Gallon - (est).: | 9.130 to 9.297
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Refractive Index: | 1.52600 to 1.53600 @ 20.00 °C.
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Melting Point: | 18.00 to 19.00 °C. @ 760.00 mm Hg
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Boiling Point: | 103.00 to 105.00 °C. @ 14.00 mm Hg
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Boiling Point: | 222.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 0.075000 mmHg @ 25.00 °C. (est) |
Flash Point: | 184.00 °F. TCC ( 84.44 °C. )
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logP (o/w): | 1.169 (est) |
Soluble in: |
| alcohol | | water, 2600 mg/L @ 20 °C (exp) |
Insoluble in: |
| water |
Organoleptic Properties:
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Odor Type: plastic |
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| plastic buttery honey |
Odor Description: at 10.00 % in propylene glycol. | plastic buttery honey |
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Flavor Type: caramellic |
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| caramellic cocoa dairy nutty |
Taste Description:
| caramellic cocoa whey nutty |
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Odor and/or flavor descriptions from others (if found). |
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Sigma-Aldrich |
1-Phenyl-1,2-propanedione, 98%, FG |
Odor Description: | butter; medicinal; green; vegetable; pepper |
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Cosmetic Information:
Suppliers:
Beijing Lys Chemicals |
1-Phenyl-1,2-propanedione
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BOC Sciences |
For experimental / research use only. |
1-PHENYL-1,2-PROPANEDIONE 98%
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DeLong Chemicals America |
1-Phenyl-1,2-propanedione, Kosher
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M&U International |
1-PHENYL-1,2-PROPANEDIONE, Kosher
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Nagar Haveli Perfumes & Aromatics |
1-Phenyl-1,2-propanedione
Odor: Plastic buttery honey |
Penta International |
1-PHENYL-1,2-PROPANEDIONE
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Santa Cruz Biotechnology |
For experimental / research use only. |
1-Phenyl-1,2-propanedione
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Sigma-Aldrich |
1-Phenyl-1,2-propanedione, 98%, FG
Odor: butter; medicinal; green; vegetable; pepper |
Certified Food Grade Products |
Synerzine |
1-Phenyl-1,2-propanedione
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Taytonn ASCC |
1-Phenyl-1,2-propanedione
Odor: Buttery |
TCI AMERICA |
For experimental / research use only. |
1-Phenyl-1,2-propanedione >97.0%(GC)
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WholeChem |
1-Phenyl-1,2-propanedione
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Safety Information:
Preferred SDS: View |
European information : |
Most important hazard(s): | Xi - Irritant |
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: |
Not determined
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Dermal Toxicity: |
Not determined
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Inhalation Toxicity: |
Not determined
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Safety in Use Information:
Category: | flavor and fragrance agents |
RIFM Fragrance Material Safety Assessment: Search |
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
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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 Concern: | 540 (μg/person/day) |
Structure Class: | II |
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
publication number: 4 |
Click here to view publication 4 |
| average usual ppm | average maximum ppm |
baked goods: | - | - |
beverages(nonalcoholic): | - | 10.00000 |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | - |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | - |
frozen dairy: | - | 10.00000 |
fruit ices: | - | 10.00000 |
gelatins / puddings: | - | 10.00000 |
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: | - | - |
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s): |
The FEMA GRAS assessment of aromatic substituted secondary alcohols, ketones, and related esters used as flavor ingredients. View pdf |
European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
European Food Safety Authority (EFSA) reference(s): |
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting), structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16Rev2 View page or View pdf |
EPI System: | View |
Chemical Carcinogenesis Research Information System: | Search |
AIDS Citations: | Search |
Cancer Citations: | Search |
Toxicology Citations: | Search |
EPA Substance Registry Services (TSCA): | 579-07-7 |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 11363 |
National Institute of Allergy and Infectious Diseases: | Data |
WGK Germany: | 3 |
| 1-phenylpropane-1,2-dione |
Chemidplus: | 0000579077 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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 |
Articles:
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. |
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