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 |
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Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
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 |
(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 |
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 |
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 |
(data available) |
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 |
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 |
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 ppm | average maximum ppm | ||
baked goods: | 5.00000 | 11.00000 | |
beverages(nonalcoholic): | 1.00000 | 2.00000 | |
beverages(alcoholic): | 3.00000 | 10.00000 | |
breakfast cereal: | 12.00000 | 12.00000 | |
cheese: | - | - | |
chewing gum: | 0.04000 | 0.04000 | |
condiments / relishes: | - | - | |
confectionery froastings: | 0.30000 | 0.30000 | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | 4.00000 | 10.00000 | |
fruit ices: | - | - | |
gelatins / puddings: | 4.00000 | 8.00000 | |
granulated sugar: | - | - | |
gravies: | 0.20000 | 0.40000 | |
hard candy: | 40.00000 | 58.00000 | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | - | |
meat products: | 4.00000 | 6.00000 | |
milk products: | - | - | |
nut products: | - | - | |
other grains: | - | - | |
poultry: | - | - | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | - | - | |
snack foods: | - | - | |
soft candy: | 4.00000 | 11.00000 | |
soups: | - | - | |
sugar substitutes: | - | - | |
sweet sauces: | 0.30000 | 0.60000 |
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 |