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acetyl propionyl

Chemical Structure

General Material Information

Preferred name acetyl propionyl
Trivial Name 2,3-Pentanedione
Short Description 2,3-pentadione
Formula C5 H8 O2
CAS Number 600-14-6
Deleted CAS Number 1341-45-3
FEMA Number 2841
Flavis Number 7.06
ECHA Number 209-984-8
FDA UNII K4WBE45SCM
Nikkaji Number J69.485A
Beilstein Number 1699638
MDL MFCD00009313
COE Number 2039
xLogP3-AA 0.10 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 410 2,3-pentadione
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 600-14-6 ; 2,3-PENTANEDIONE
Synonyms
  • acetyl propanal
  • acetyl propanal FCC
  • acetyl propionyl FCC
  • acetyl propionyl FCC natural
  • acetyl propionyl FCC pure
  • acetyl propionyl natural
  • acetyl propionyl naturel
  • acetyl propionyl synthetic
  • acetyl propionyl, natural
  • acetyl proprionyl natural
  • acetylpropanal
  • acetylpropionyl
  • beta,gamma- dioxopentane
  • 2,3-pentadione
  • pentan-2,3-dione
  • 2,3-pentandione FCC
  • pentandione-2,3
  • 2,3-pentane dione
  • pentane-2,3-dione
  • 2,3-pentanedione
  • 2,3-pentanedione (acetyl propionyl)
  • 2,3-Pentanedione
  • NSC 7613

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

pentane-2,3-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:600-14-6
Pubchem (cid):11747
Pubchem (sid):134976376
Flavornet:600-14-6
Pherobase:View
Publications by US Patents
3,952,024 - Furfurylthioacetone
Publications by PubMed
Characterization of the key odorants in pan-fried white mushrooms (Agaricus bisporus L.) by means of molecular sensory science: comparison with the raw mushroom tissue.
Identification of aroma active compounds of cereal coffee brew and its roasted ingredients.
Diacetyl levels and volatile profiles of commercial starter distillates and selected dairy foods.
Proton transfer reaction time-of-flight mass spectrometry monitoring of the evolution of volatile compounds during lactic acid fermentation of milk.
Analysis of volatile flavor compounds of sardine (Sardinops melanostica) by solid phase microextraction.
Solid-phase microextraction method development for headspace analysis of volatile flavor compounds.
Aroma comparisons of traditional and mild yogurts: headspace gas chromatography quantification of volatiles and origin of alpha-diketones.
Sensory investigation of yogurt flavor perception: mutual influence of volatiles and acidity.
Characterization of volatile aroma compounds in different brewing barley cultivars.
Diacetyl and 2,3-pentanedione exposures associated with cigarette smoking: implications for risk assessment of food and flavoring workers.
Cardiac hypoxia imaging: second-generation analogues of 64Cu-ATSM.
Evaluation of the hypersensitivity potential of alternative butter flavorings.
Popcorn flavoring effects on reactivity of rat airways in vivo and in vitro.
Computational design of short-chain dehydrogenase Gox2181 for altered coenzyme specificity.
Chromatographic analysis of methylglyoxal and other ±-dicarbonyls using gas-diffusion microextraction.
Influence of valine and other amino acids on total diacetyl and 2,3-pentanedione levels during fermentation of brewer's wort.
Mechanistic insights into the LsrK kinase required for autoinducer-2 quorum sensing activation.
LuxS affects biofilm maturation and detachment of the periodontopathogenic bacterium Eikenella corrodens.
Identification of aroma active compounds of cereal coffee brew and its roasted ingredients.
Still searching for better butter flavoring.
LuxS influences Escherichia coli biofilm formation through autoinducer-2-dependent and autoinducer-2-independent modalities.
AI-2 analogs and antibiotics: a synergistic approach to reduce bacterial biofilms.
Construction of self-cloning bottom-fermenting yeast with low vicinal diketone production by the homo-integration of ILV5.
Effect of sugars on liquid-vapour partition of volatile compounds in ready-to-drink coffee beverages.
Heterologous expression of sahH reveals that biofilm formation is autoinducer-2-independent in Streptococcus sanguinis but is associated with an intact activated methionine cycle.
Deep sequencing of Porphyromonas gingivalis and comparative transcriptome analysis of a LuxS mutant.
Respiratory and olfactory cytotoxicity of inhaled 2,3-pentanedione in Sprague-Dawley rats.
Development of a method for the determination of advanced glycation end products precursors by liquid chromatography and its application in human urine samples.
C4-alkoxy-HPD: a potent class of synthetic modulators surpassing nature in AI-2 quorum sensing.
Deconvoluting interspecies bacterial communication.
Characterization of the key odorants in raw Italian hazelnuts ( Corylus avellana L. var. Tonda Romana) and roasted hazelnut paste by means of molecular sensory science.
Diacetyl levels and volatile profiles of commercial starter distillates and selected dairy foods.
Recent progresses on AI-2 bacterial quorum sensing inhibitors.
Transcriptional and metabolomic consequences of LuxS inactivation reveal a metabolic rather than quorum-sensing role for LuxS in Lactobacillus reuteri 100-23.
Bronchial and bronchiolar fibrosis in rats exposed to 2,3-pentanedione vapors: implications for bronchiolitis obliterans in humans.
Effect of interspecies quorum sensing on the formation of aerobic granular sludge.
Color, lipid oxidation, sensory quality, and aroma compounds of beef steaks displayed under different levels of oxygen in a modified atmosphere package.
Chemical composition and antioxidant activity of the essential oil of endemic Viola tianshanica.
RbsB (NTHI_0632) mediates quorum signal uptake in nontypeable Haemophilus influenzae strain 86-028NP.
A multivalent probe for AI-2 quorum-sensing receptors.
Quorum sensing control of phosphorus acquisition in Trichodesmium consortia.
The response of type 2 quorum sensing in Klebsiella pneumoniae to a fluctuating culture environment.
Inhibition of LuxS by S-ribosylhomocysteine analogues containing a [4-aza]ribose ring.
Atmospheric chemistry of 2,3-pentanedione: photolysis and reaction with OH radicals.
Effects on membrane lateral pressure suggest permeation mechanisms for bacterial quorum signaling molecules.
UV photolysis of α-cyclohexanedione in the gas phase.
Helicobacter pylori perceives the quorum-sensing molecule AI-2 as a chemorepellent via the chemoreceptor TlpB.
Processing the interspecies quorum-sensing signal autoinducer-2 (AI-2): characterization of phospho-(S)-4,5-dihydroxy-2,3-pentanedione isomerization by LsrG protein.
Effect of oxidoreduction potential on aroma biosynthesis by lactic acid bacteria in nonfat yogurt.
Identification and measurement of diacetyl substitutes in dry bakery mix production.
Quantitation of key peanut aroma compounds in raw peanuts and pan-roasted peanut meal. Aroma reconstitution and comparison with commercial peanut products.
Freshness characterisation of whiting (Merlangius merlangus) using an SPME/GC/MS method and a statistical multivariate approach.
Elucidation of the conformational free energy landscape in H.pylori LuxS and its implications to catalysis.
Synthetic analogs tailor native AI-2 signaling across bacterial species.
In Helicobacter pylori auto-inducer-2, but not LuxS/MccAB catalysed reverse transsulphuration, regulates motility through modulation of flagellar gene transcription.
Proton transfer reaction time-of-flight mass spectrometry monitoring of the evolution of volatile compounds during lactic acid fermentation of milk.
Staphylococcus aureus AI-2 quorum sensing associates with the KdpDE two-component system to regulate capsular polysaccharide synthesis and virulence.
Characterization of two aldo-keto reductases from Gluconobacter oxydans 621H capable of regio- and stereoselective alpha-ketocarbonyl reduction.
Products and mechanism of the reaction of chlorine atoms with 3-pentanone in 700-950 torr of N(2)/O(2) diluent at 297-515 K.
Degradation of glucose: reinvestigation of reactive alpha-Dicarbonyl compounds.
Inhibition of S-ribosylhomocysteinase (LuxS) by substrate analogues modified at the ribosyl C-3 position.
Autoinducer-2-based chemical communication in bacteria: complexities of interspecies signaling.
Characterization of an aldolase-dehydrogenase complex that exhibits substrate channeling in the polychlorinated biphenyls degradation pathway.
Decoding the key aroma compounds of a Hungarian-type salami by molecular sensory science approaches.
Identification, quantification, and determination of the absolute configuration of the bacterial quorum-sensing signal autoinducer-2 by gas chromatography-mass spectrometry.
Probing the catalytic mechanism of S-ribosylhomocysteinase (LuxS) with catalytic intermediates and substrate analogues.
Furanones, potential agents for preventing Staphylococcus epidermidis biofilm infections?
HMOX1 and NQO1 genes are upregulated in response to contact sensitizers in dendritic cells and THP-1 cell line: role of the Keap1/Nrf2 pathway.
Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats.
Biofilm formation and autoinducer-2 signaling in Streptococcus intermedius: role of thermal and pH factors.
The EGL-4 PKG acts with KIN-29 salt-inducible kinase and protein kinase A to regulate chemoreceptor gene expression and sensory behaviors in Caenorhabditis elegans.
An unexpected switch in the modulation of AI-2-based quorum sensing discovered through synthetic 4,5-dihydroxy-2,3-pentanedione analogues.
Indole cell signaling occurs primarily at low temperatures in Escherichia coli.
Analysis of volatile flavor compounds of sardine (Sardinops melanostica) by solid phase microextraction.
LuxS and expression of virulence factors in Streptococcus intermedius.
Autoinducer-2-regulated genes in Streptococcus mutans UA159 and global metabolic effect of the luxS mutation.
Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science.
Genetic and physiological characterization of the Borrelia burgdorferi ORF BB0374-pfs-metK-luxS operon.
The quorum-sensing molecule autoinducer 2 regulates motility and flagellar morphogenesis in Helicobacter pylori.
AI-2 quorum sensing affects antibiotic susceptibility in Streptococcus anginosus.
Spectroscopic characterization of chromium(III), manganese(II) and nickel(II) complexes with a nitrogen donor tetradentate, 12-membered azamacrocyclic ligand.
Regulated synthesis of the Borrelia burgdorferi inner-membrane lipoprotein IpLA7 (P22, P22-A) during the Lyme disease spirochaete's mammal-tick infectious cycle.
Unifying mechanism for bacterial cell signalers (4,5-dihydroxy-2,3-pentanedione, lactones and oligopeptides): electron transfer and reactive oxygen species. Practical medical features.
Diketone radical cations: ketonic and enolic forms as revealed by matrix EPR studies and DFT calculations.
Proteome analysis of Sulfolobus solfataricus P2 propanol metabolism.
Phosphorylation and processing of the quorum-sensing molecule autoinducer-2 in enteric bacteria.
Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol.
Efficient metal-catalyzed direct benzylation and allylic alkylation of 2,4-pentanediones.
Ac2-DPD, the bis-(O)-acetylated derivative of 4,5-dihydroxy-2,3-pentanedione (DPD) is a convenient stable precursor of bacterial quorum sensing autoinducer AI-2.
Enthalpies of formation, bond dissociation energies, and molecular structures of the n-aldehydes (acetaldehyde, propanal, butanal, pentanal, hexanal, and heptanal) and their radicals.
Functional analysis of luxS in the probiotic strain Lactobacillus rhamnosus GG reveals a central metabolic role important for growth and biofilm formation.
Catalytic mechanism of S-ribosylhomocysteinase: ionization state of active-site residues.
AI-3 synthesis is not dependent on luxS in Escherichia coli.
Heats of formation of the propionyl ion and radical and 2,3-pentanedione by threshold photoelectron photoion coincidence spectroscopy.
Autoinducer 2: a concentration-dependent signal for mutualistic bacterial biofilm growth.
Characterisation of lactic acid bacteria isolated from fermented milk "laban".
Design and synthesis of substrate and intermediate analogue inhibitors of S-ribosylhomocysteinase.
Freshwater bioluminescence in Vibrio albensis (Vibrio cholerae biovar albensis) NCIMB 41 is caused by a two-nucleotide deletion in luxO.
Functionality of Borrelia burgdorferi LuxS: the Lyme disease spirochete produces and responds to the pheromone autoinducer-2 and lacks a complete activated-methyl cycle.
Spectroscopic characterization and EPR spectral studies on transition metal complexes with a novel tetradentate, 12-membered macrocyclic ligand.
Evidence for distinct L-methionine catabolic pathways in the yeast Geotrichum candidum and the bacterium Brevibacterium linens.
Let LuxS speak up in AI-2 signaling.
Synthesis of alpha-substituted fosmidomycin analogues as highly potent Plasmodium falciparum growth inhibitors.
Role of the solvent glycerol in the Maillard reaction of d-fructose and l-alanine.
A furanosyl-carbonate autoinducer in cell-to-cell communication of V. harveyi.
Identification of potent odorants formed during the preparation of extruded potato snacks.
Synthesis of autoinducer 2 by the lyme disease spirochete, Borrelia burgdorferi.
Chemical synthesis of (S)-4,5-dihydroxy-2,3-pentanedione, a bacterial signal molecule precursor, and validation of its activity in Salmonella typhimurium.
Crystal structure of S-ribosylhomocysteinase (LuxS) in complex with a catalytic 2-ketone intermediate.
Mechanism of action of S-ribosylhomocysteinase (LuxS).
Salmonella typhimurium recognizes a chemically distinct form of the bacterial quorum-sensing signal AI-2.
Catalytic mechanism of S-ribosylhomocysteinase (LuxS): stereochemical course and kinetic isotope effect of proton transfer reactions.
Boron binding with the quorum sensing signal AI-2 and analogues.
Synthesis and biological validation of a ubiquitous quorum-sensing molecule.
Determination of urinary glyoxal and methylglyoxal by high-performance liquid chromatography.
Volatile compounds produced in cheese by Enterobacteriaceae strains of dairy origin.
Synthesis of erythro-alpha-amino beta-hydroxy carboxylic acid esters by diastereoselective photocycloaddition of 5-methoxyoxazoles with aldehydes.
Proteolysis, volatile compounds, and sensory evaluation in Hispánico cheese manufactured with the addition of a thermophilic adjunct culture, nisin, and calcium alginate-nisin microparticles.
Chemical synthesis of S-ribosyl-L-homocysteine and activity assay as a LuxS substrate.
Catalytic mechanism of S-ribosylhomocysteinase (LuxS): direct observation of ketone intermediates by 13C NMR spectroscopy.
Alternative pathway for the formation of 4,5-dihydroxy-2,3-pentanedione, the proposed precursor of 4-hydroxy-5-methyl-3(2H)-furanone as well as autoinducer-2, and its detection as natural constituent of tomato fruit.
The kinetic method as a structural diagnostic tool: ionized alpha-diketones as loosely one-electron bonded diacylium ion dimers.
S-Ribosylhomocysteinase (LuxS) is a mononuclear iron protein.
Isolation of regioisomers of N-alkylprotoporphyrin IX from chick embryo liver after treatment with porphyrinogenic xenobiotics.
Aroma components of cooked tail meat of American lobster (Homarus americanus).
Aroma-active components of nonfat dry milk.
The Caenorhabditis elegans odr-2 gene encodes a novel Ly-6-related protein required for olfaction.
Approaches to wine aroma: release of aroma compounds from reactions between cysteine and carbonyl compounds in wine.
Solid-phase microextraction method development for headspace analysis of volatile flavor compounds.
Aroma comparisons of traditional and mild yogurts: headspace gas chromatography quantification of volatiles and origin of alpha-diketones.
Sensory investigation of yogurt flavor perception: mutual influence of volatiles and acidity.
Origin of 2,3-pentanedione and 2,3-butanedione in D-glucose/L-alanine Maillard model systems.
Investigation of the reaction between 4-hydroxy-5-methyl-3(2H)-furanone and cysteine or hydrogen sulfide at pH 4.5.
The phnIJ genes encoding acetaldehyde dehydrogenase (acylating) and 4-hydroxy-2-oxovalerate aldolase in Pseudomonas sp. DJ77 and their evolutionary implications.
Urinary excretion of biomarkers of oxidative kidney damage induced by ferric nitrilotriacetate.
Aldehyde dehydrogenase (CoA-acetylating) and the mechanism of ethanol formation in the amitochondriate protist, Giardia lamblia.
Excretion of multiple urinary biomarkers for radical induced damage in rats treated with three different nephrotoxic compounds.
The Caenorhabditis elegans seven-transmembrane protein ODR-10 functions as an odorant receptor in mammalian cells.
Regulation of CYP 2 A 5 induction by porphyrinogenic agents in mouse primary hepatocytes.
Inhibition of the reconstituted mitochondrial oxoglutarate carrier by arginine-specific reagents.
Identification of N-acetylcysteine conjugates of 1,2-dibromo-3-chloropropane: evidence for cytochrome P450 and glutathione mediated bioactivation pathways.
Analysis of aldehydes and ketones from beer as O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine derivatives.
Cloning and expression of the gene encoding alpha-acetolactate decarboxylase from Acetobacter aceti ssp. xylinum in brewer's yeast.
Relations between compositional traits and sensory qualities of French dry-cured ham.
Fluorimetric determination of diacetyl and 2,3-pentanedione with isoniazide and a zirconium salt.
Kinetics of alpha-dicarbonyls reduction by L-glycol dehydrogenase (NAD+) from Enterobacter aerogenes.
Formation of N-methyl protoporphyrin in chemically-induced protoporphyria. Studies with a novel porphyrogenic agent.
Purification and properties of the physically associated meta-cleavage pathway enzymes 4-hydroxy-2-ketovalerate aldolase and aldehyde dehydrogenase (acylating) from Pseudomonas sp. strain CF600.
Purification of liver aldehyde dehydrogenase by p-hydroxyacetophenone-sepharose affinity matrix and the coelution of chloramphenicol acetyl transferase from the same matrix with recombinantly expressed aldehyde dehydrogenase.
Degradation of vinyl acetate by soil, sewage, sludge, and the newly isolated aerobic bacterium V2.
Purification and properties of two oxidoreductases catalyzing the enantioselective reduction of diacetyl and other diketones from baker's yeast.
Inactivation of Escherichia coli L-threonine dehydrogenase by 2,3-butanedione. Evidence for a catalytically essential arginine residue.
Kinetics of the diacetyl and 2,3-pentanedione reduction by diacetyl reductase (alpha-diketone reductase (NAD)) from Staphylococcus aureus.
Stereoselective synthesis of (1-alkoxyalkyl) alpha- and beta-D-glucopyranosiduronates (acetal-glucopyranosiduronates): a new approach to specific cytostatics for the treatment of cancer.
Purification and characterization of diacetyl-reducing enzymes from Staphylococcus aureus.
Towards diacetyl-less brewers' yeast. Influence of ilv2 and ilv5 mutations.
Syntheses of homologous omega-aminated 1-methoxyalkyl beta-D-glucopyranosides as potential beta-D-glucosidase inhibitors.
Desmutagenic effect of alpha-dicarbonyl and alpha-hydroxycarbonyl compounds against mutagenic heterocyclic amines.
Kinetics of alpha-dicarbonyls reduction by L-glycol dehydrogenase from hen muscle.
Specificity of the Westerfeld adaptation of the Voges-Proskauer test.
Roles of arginyl residues in pyridoxamine-5'-phosphate oxidase from rabbit liver.
Modification of essential arginine residues of pigeon liver malic enzyme.
[Effects of 2,5-hexanediol, 2,4-pentanedione, acetone and 2-heptanone on the secretory responsiveness of the sweat glands in rats (author's transl)].
Investigation of reaction intermediates of the urea-diacetylmonoxime reaction.
[Gaschromatographical determination of diacetyl, acetoin, and 2,3-pentanedione in wine (author's transl)].
Microbial metabolism of amino alcohols. 1-Aminopropan-2-ol and ethanolamine metabolism via propionaldehyde and acetaldehyde in a species of Pseudomonas.
Formation of 2,3-pentanediol from 2,3-pentanedione and acetylethylcarbinol by diacetyl(acetoin)reductase from Aerobacter aerogenes. A possible new pathway.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31598
FooDB:FDB008229
YMDB (Yeast Metabolome Database):YMDB01434
Export Tariff Code:2914.19.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

Suppliers

ACS International Advanced Biotech
Alfrebro Ambles Nature et Chimie
Anhui Haibei Apple Flavor & Fragrance
Artiste Augustus Oils
Aurochemicals Beijing Lys Chemicals
Berjé BOC Sciences
Carbosynth Charkit Chemical
CJ Latta & Associates DeLong Chemicals America
Diffusions Aromatiques Elan Inc.
EMD Millipore Ernesto Ventós
FCI SAS Fleurchem
Frutarom H. Interdonati, Inc.
IFF Indukern F&F
Jiangyin Healthway Jinan Enlighten Chemical Technology(Wutong Aroma )
K.L. Koh Enterprise Kingchem Laboratories
Lluch Essence M&U International
Moellhausen Nagar Haveli Perfumes & Aromatics
Natural Advantage O'Laughlin Industries
Oamic Ingredients OQEMA
Pearlchem Corporation Pfaltz & Bauer
Phoenix Aromas & Essential Oils R C Treatt & Co Ltd
Reincke & Fichtner Riverside Aromatics
Robertet Santa Cruz Biotechnology
Sigma-Aldrich SRS Aromatics
Sunaux International Synerzine
Taytonn ASCC TCI AMERICA
The Lermond Company Tianjin Danjun International
United International Vigon International
WholeChem ACS International GmbH
Advanced Biotech. Inc. Alfrebro LLC/ Archer Daniels Midland Company
Augustus Oils Ltd Beijing Lys Chemicals Co, LTD.
Berje Inc. Charkit Chemical Corporation
CJ Latta & Associates, LLC Fleurchem, Inc.
FRUTAROM USA INC, Indukern, S.A. F&F Ingredients Division
Jiangyin Healthway International Trade Co., Ltd Lluch Essence S.L.
M&U International LLC Moellhausen S.P.A.
O'Laughlin Industries Inc. Riverside Aromatics Ltd.
Robertet, Inc. SRS Aromatics Ltd
Synerzine, Inc. Taytonn ASCC Pte Ltd
Tianjin Danjun International Trade Co., LTD. R C Treatt and Co Ltd
Qingdao Free Trade Zone United International Co Ltd Ernesto Ventós S.A.
WholeChem, LLC

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 100.11715698242
Melting Point -52 to -51°C @ 760 mm Hg
Boiling Point 108 to 112°C @ 760 mm Hg
Vapor Pressure 20 mmHg @ 20 °C
Vapor Density 3.4
Flash Point TCC Value 18.89 °C TCC
logP (o/w) -0.85
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
fixed oils Yes
propylene glycol Yes
water, 66700 mg/L @ 15 °C (exp) Yes
water No
glycerin No

Organoleptic Properties

Odor Type: Buttery
pungent, sweet, buttery, creamy, caramellic, nutty, cheesy, toasted
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 12 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 1.00 % in dipropylene glycol. pungent sweet butter creamy caramel nutty cheese
Mosciano, Gerard P&F 22, No. 1, 57, (1997) Buttery, nutty, toasted, caramellic, diacetyl and acetoin notes
Flavor Type: Toasted
toasted, buttery, caramellic, marshmallow, molasses
Mosciano, Gerard P&F 22, No. 1, 57, (1997) At 5.00 ppm. Toasted, buttery and caramellic with marshmallow and molasses nuances
General comment Creamy sweet butter brown fruity
Useful in: brown caramel, brown nuts, brown coffee, brown others, dairy, savory meat, fruity red, fruity yellow, sweet others, alcoholics. Sweet, buttery, creamy, milky, toffee, with a fruity nuance

Occurrences

Potential Uses

Applications
Odor purposes Butter, Coffee, Peach, Peanut, Pine, Toffee, Vanilla
Flavoring purposes Almond toasted almond, Bread, Caramel, Chocolate cocoa, Marshmallow, Tea, Tomato
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, 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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 3000 mg/kg
(Moreno, 1977d)

Dermal Toxicity:
skin-rabbit LD50 > 2500 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 699, 1979.

Inhalation Toxicity:
Not determined

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
Recommendation for acetyl propionyl usage levels up to:
0.0800 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 130.00 (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: 3. Update in publication number(s): 29
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: 5.0000011.00000
beverages(nonalcoholic): 1.000002.00000
beverages(alcoholic): 3.0000010.00000
breakfast cereal: 12.0000012.00000
cheese: --
chewing gum: 0.040000.04000
condiments / relishes: --
confectionery froastings: 0.300000.30000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 4.0000010.00000
fruit ices: --
gelatins / puddings: 4.000008.00000
granulated sugar: --
gravies: 0.200000.40000
hard candy: 40.0000058.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 4.000006.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 4.0000011.00000
soups: --
sugar substitutes: --
sweet sauces: 0.300000.60000

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 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Safety and efficacy of secondary aliphatic saturated or unsaturated alcohols, ketones, ketals and esters with a second secondary or tertiary oxygenated functional group belonging to chemical group 10 when used as flavourings for all animal species
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):600-14-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11747
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:1
pentane-2,3-dione
Chemidplus:0000600146
RTECS:SA1850000 for cas# 600-14-6