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acetyl isobutyryl

Chemical Structure

General Material Information

Preferred name acetyl isobutyryl
Trivial Name 4-Methyl-2,3-pentanedione
Short Description 4-methyl-2,3-pentanedione
Formula C6 H10 O2
CAS Number 7493-58-5
FEMA Number 2730
Flavis Number 7.063
ECHA Number 231-328-4
FDA UNII K372XXT72S
Nikkaji Number J110.476D
COE Number 2043
xLogP3-AA 0.60 (est)
NMR Predictor External link
JECFA Food Flavoring 411 4-methyl-2,3-pentanedione
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7493-58-5 ; 4-METHYL-2,3-PENTANEDIONE
Synonyms
  • acetylisobutyryl
  • methyl isopropyl diketone
  • 4-methyl pentane-2,3-dione
  • 4-methyl-2,3-pentane dione
  • 4-methyl-2,3-pentanedione
  • 4-methylpentane-2,3-dione
  • 2,3-pentanedione, 4-methyl-
  • iso propyl methyl diketone
  • 4-methylpentane-2,3-dione
  • 2,3-Pentanedione, 4-methyl-
  • 4-Methyl-2,3-pentanedione
  • NSC 31666

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

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Literature & References

4-methylpentane-2,3-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7493-58-5
Pubchem (cid):24115
Pubchem (sid):134987865
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

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
HMDB (The Human Metabolome Database):HMDB31559
FooDB:FDB008172
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 114.14409637451
Boiling Point 116 to 118°C @ 760 mm Hg
Vapor Pressure 17.084 mmHg @ 25 °C
Flash Point TCC Value 28.89 °C TCC
logP (o/w) -0.477 est
Solubility
alcohol Yes
water, 2.442e+005 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Buttery
sweet, fruity, buttery, creamy, fatty, brown
General comment At 1.00 % in dipropylene glycol. sweet fruity buttery creamy fatty
Mosciano, Gerard P&F 17, No. 3, 57, (1992) Sweet, fruity, buttery, creamy, with a brown fatty nuance
Flavor Type: Creamy
sweet, creamy, fruity, buttery, cooked, estery
Mosciano, Gerard P&F 17, No. 3, 57, (1992) At 80.00 ppm. Sweet, creamy, fruity, buttery, with a cooked estry nuance

Occurrences

Safety Information

Safety information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for acetyl isobutyryl usage levels up to:
0.1000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.30 (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
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -8.30000
beverages(nonalcoholic): -7.60000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.60000
fruit ices: -5.60000
gelatins / puddings: 1.2000018.00000
granulated sugar: --
gravies: --
hard candy: -6.20000
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 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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :24115
National Institute of Allergy and Infectious Diseases:Data
4-methylpentane-2,3-dione
Chemidplus:0007493585