We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

2,3-heptane dione

Chemical Structure

General Material Information

Preferred name 2,3-heptane dione
Trivial Name 2,3-Heptanedione
Short Description 2,3-heptanedione
Formula C7 H12 O2
CAS Number 96-04-8
FEMA Number 2543
Flavis Number 7.064
ECHA Number 202-472-5
FDA UNII DK55DDE86P
Nikkaji Number J97.909K
MDL MFCD00036550
COE Number 2044
xLogP3-AA 1.00 (est)
NMR Predictor External link
JECFA Food Flavoring 415 2,3-heptanedione
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 96-04-8 ; 2,3-HEPTANEDIONE
Synonyms
  • acetyl pentanoyl
  • acetyl valerianyl
  • acetyl valeryl
  • acetyl valeryl natural
  • acetylvalerianyl
  • acetylvaleryl
  • heptane-2,3-dione
  • 2,3-heptanedione
  • valeryl acetyl
  • 2,3-Heptanedione
  • Valerylacetyl
  • NSC 31668
  • Heptan-2,3-dione

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

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

Literature & References

heptane-2,3-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:96-04-8
Pubchem (cid):60983
Pubchem (sid):135017852
Pherobase:View
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31476
FooDB:FDB008049
Export Tariff Code:2914.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 128.1710357666
Boiling Point 71 to 72°C @ 44 mm Hg
Vapor Pressure 3.978 mmHg @ 25 °C
Flash Point TCC Value 40.56 °C TCC
logP (o/w) 0.188 est
Solubility
alcohol Yes
water, slightly Yes
water, 7.141e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Buttery
buttery, cheesy, oily
General comment At 1.00 % in dipropylene glycol. butter cheese oily fresh yogurt
Flavor Type: Buttery
dairy, buttery, butterscotch, rummy, caramellic
General comment Sweet dairy butter butterscotch butter rum caramel
Dairy type flavors including butter, aged cheeses, butterscotch, yogurt, butter rum, and caramel. Sweet, dairy, butter notes similar to butterscotch, butter rum, and caramel

Occurrences

Potential Uses

Applications
Odor purposes Apple, Berry, Butter, Butterscotch, Coffee, Pineapple, Saffron
Flavoring purposes Cheese, Nut

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 43 - May cause sensitisation by skin contact.
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 36 - Wear suitable protective clothing.
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:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1979a)

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 2,3-heptane dione usage levels up to:
0.0500 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.97 (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: -7.90000
beverages(nonalcoholic): -0.96000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -1.70000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.10000
fruit ices: -3.10000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -8.20000
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 Substance Registry Services (TSCA):96-04-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :60983
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:3
heptane-2,3-dione
Chemidplus:0000096048