EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

1-phenyl-1,2-propane dione
1-phenyl-1,2-propanedione

Sponsors

Name:1-phenylpropane-1,2-dione
CAS Number: 579-07-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-435-2
FDA UNII:ZB5XA3GD0I
Nikkaji Web:J95.015G
MDL:MFCD00008755
CoE Number:2275
XlogP3:1.70 (est)
Molecular Weight:148.16116000
Formula:C9 H8 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:833 1-phenyl-1,2-propanedione
FLAVIS Number:07.079 (Old)
DG SANTE Food Flavourings:07.079 1-phenylpropan-1,2-dione
FEMA Number:3226 1-phenyl-1,2-propanedione
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 1-PHENYL-1,2-PROPANEDIONE
 
Physical Properties:
Appearance:yellow clear oily liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.10400 to 1.10900 @ 20.00 °C.
Pounds per Gallon - (est).: 9.197 to 9.239
Refractive Index:1.53100 to 1.53500 @ 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
Boiling Point: 222.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.075000 mm/Hg @ 25.00 °C. (est)
Flash Point: 184.00 °F. TCC ( 84.44 °C. )
logP (o/w): 1.169 (est)
Soluble in:
 alcohol
 water, 2600 mg/L @ 20 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: plastic
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
plastic buttery honey
Odor Description:at 10.00 % in propylene glycol. plastic buttery honey
Flavor Type: caramellic
">caramellic cocoa dairy nutty
Taste Description: caramellic cocoa whey nutty
Odor and/or flavor descriptions from others (if found).
Sigma-Aldrich
1-Phenyl-1,2-propanedione, 98%, FG
Odor Description:butter; medicinal; green; vegetable; pepper
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
1-Phenyl-1,2-propanedione
BOC Sciences
For experimental / research use only.
1-PHENYL-1,2-PROPANEDIONE 98%
DeLong Chemicals America
1-Phenyl-1,2-propanedione, Kosher
M&U International
1-PHENYL-1,2-PROPANEDIONE, Kosher
Nagar Haveli Perfumes & Aromatics
1-Phenyl-1,2-propanedione
Odor: Plastic buttery honey
Penta International
1-PHENYL-1,2-PROPANEDIONE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
1-Phenyl-1,2-propanedione
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
Taytonn
1-Phenyl-1,2-propanedione
Odor: Buttery
TCI AMERICA
For experimental / research use only.
1-Phenyl-1,2-propanedione >97.0%(GC)
 
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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 4.90 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
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
 average usual ppmaverage 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:
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

EPI System: View
Chemical Carcinogenesis Research Information System:Search
Env. Mutagen Info. Center: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:
 1-phenylpropane-1,2-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:579-07-7
Pubchem (cid):11363
Pubchem (sid):134977254
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C17268
HMDB (The Human Metabolome Database):HMDB35243
FooDB:FDB013903
Export Tariff Code:2914.39.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
animal
para-
cresyl phenyl acetate
FL/FR
1,2,3,4-
tetrahydroquinoline
FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
guaiacyl phenyl acetate
FL/FR
caramellic
immortelle absolute
FL/FR
cereal
bran absolute
FR
chocolate
iso
amyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
citrus
nonanal dimethyl acetal
FL/FR
coconut
delta-
decalactone
FL/FR
earthy
dibenzyl ether
FL/FR
fatty
methyl (E)-2-hexenoate
FL/FR
4-
methyl octanoic acid
FL/FR
floral
cardamom absolute
FL/FR
citronellyl isovalerate
FL/FR
citronellyl phenyl acetate
FL/FR
citronellyl valerate
FL/FR
cyclohexyl ethyl acetate
FL/FR
dimethyl octanol
FL/FR
ethyl hydrocinnamate
FL/FR
ethyl phenyl acetate
FL/FR
genet concrete
FR
geranyl phenyl acetate
FL/FR
hyacinth acetals
FL/FR
kewda oil
CS
linalyl phenyl acetate
FL/FR
octyl isovalerate
FL/FR
bitter
orangeflower absolute morocco
FL/FR
phenethyl acetate
FL/FR
phenethyl anthranilate
FL/FR
phenethyl benzoate
FL/FR
phenethyl hexanoate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl propionate
FL/FR
phenyl glycol diacetate
FR
3-
phenyl propyl formate
FL/FR
(E)-2-
phenyl-1(2)-propene-1-yl acetate
FR
iso
propyl anthranilate
FL/FR
rhodinyl phenyl acetate
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose carboxylate
FR
rose concrete (rosa centifolia)
FR
wallflower absolute
FR
fruity
allyl phenoxyacetate
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
osmanthus flower absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
green
diphenyl methane
FL/FR
(E)-2-
hexen-1-yl phenyl acetate
FL/FR
4-
methyl-4-phenyl pentanone
FR
(Z)-2-
penten-1-ol
FL/FR
phenethyl isopropyl ether
FR
phenyl acetaldehyde
FL/FR
syringaldehyde
FL/FR
hay
beeswax absolute
FL/FR
herbal
artemisyl ketone
FL/FR
dihexyl (E)-fumarate
FR
american
elder flower absolute
FR
matricaria chamomilla flower oil
FL/FR
honey
allyl phenyl acetate
FL/FR
butyl phenyl acetate
FL/FR
methyl hydrocinnamate
FL/FR
methyl phenyl acetate
FL/FR
phenethyl furoate
FL/FR
phenyl acetic acid
FL/FR
phenyl pyruvic acid
FL/FR
propyl phenyl acetate
FL/FR
musty
cocoa butenal
FL/FR
phenolic
phenol
CS
plastic
ethyl acrylate
CS
powdery
dibenzyl ketone
FL/FR
spicy
carnation absolute
FR
iso
eugenyl phenyl acetate
FL/FR
eugenyl phenyl acetate
FL/FR
myrcene
FR
thujonic
cistus cyclohexanone
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
dihydrocitronellyl acetate
FL/FR
1-
dodecanol
FL/FR
methyl butyl phenyl acetate
FL/FR
waxy acetate
FR
woody
santalyl phenyl acetate
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
artemisyl ketone
FL/FR
cistus cyclohexanone
FL/FR
citronellyl isovalerate
FL/FR
citronellyl valerate
FL/FR
dihydrocitronellyl acetate
FL/FR
ethyl hydrocinnamate
FL/FR
eugenyl phenyl acetate
FL/FR
fig leaf absolute
FL
(E)-2-
hexen-1-yl phenyl acetate
FL/FR
linalyl phenyl acetate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl hydrocinnamate
FL/FR
octyl isovalerate
FL/FR
osmanthus flower absolute
FL/FR
phenethyl furoate
FL/FR
3-
phenyl propyl formate
FL/FR
iso
propyl anthranilate
FL/FR
santalyl phenyl acetate
FL/FR
beta-
damascone
FL/FR
anisic
anisic
para-
anisyl phenyl acetate
FL/FR
aromatic
hyacinth acetals
FL/FR
bitter
dibenzyl ketone
FL/FR
brown
beeswax absolute
FL/FR
cocoa
syringaldehyde
FL/FR
coconut
delta-
decalactone
FL/FR
fatty
dimethyl octanol
FL/FR
4-
methyl octanoic acid
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
cardamom absolute
FL/FR
citronellyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
geranyl phenyl acetate
FL/FR
methyl phenyl acetate
FL/FR
bitter
orangeflower absolute morocco
FL/FR
phenethyl anthranilate
FL/FR
phenethyl benzoate
FL/FR
phenethyl propionate
FL/FR
phenyl acetic acid
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
fruity
allyl phenoxyacetate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
dibenzyl ether
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
green
cocoa butenal
FL/FR
cyclohexyl ethyl acetate
FL/FR
diphenyl methane
FL/FR
(E)-3-
hexenoic acid
FL
immortelle absolute
FL/FR
nonanal dimethyl acetal
FL/FR
(Z)-2-
penten-1-ol
FL/FR
4-
penten-1-yl acetate
FL
herbal
matricaria chamomilla flower oil
FL/FR
honey
allyl phenyl acetate
FL/FR
butyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
propyl phenyl acetate
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
guaiacyl phenyl acetate
FL/FR
phenyl pyruvic acid
FL/FR
soapy
1-
dodecanol
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
spicy
iso
eugenyl phenyl acetate
FL/FR
sweet
cyclohexyl acetic acid
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
phenethyl hexanoate
FL/FR
rhodinyl phenyl acetate
FL/FR
 
Potential Uses:
FRcoffee
 
Occurrence (nature, food, other):note
 butter
Search PMC Picture
 coffee
Search PMC Picture
 potato baked potato
Search Trop Picture
 
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.
 
Notes:
an oxoglutarate carrier antagonist. Present in coffee aroma. Flavouring ingredient
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