2,3-heptane dione
2,3-heptanedione
 
Notes:
Flavour ingredient. Found in tomato, beer, rum, soybean, mushroom and shoyn
  • BOC Sciences
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      96-04-8 2,3-Heptanedione
       
  • CJ Latta & Associates
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      2,3-HEPTANEDIONE 97%
       
  • M&U International
    • M&U International LLC
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      W0124 acetyl valeryl (synthetic)
      W0124N acetyl valeryl (natural)
       
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      H0422 2,3-Heptanedione >98.0%(GC)
       
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      503172 Acetyl Valeryl (2,3-Heptanedione)
       
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      2,3-Heptanedione
       
Synonyms   Articles   Notes   Search
CAS Number: 96-04-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 202-472-5
FDA UNII: DK55DDE86P
Nikkaji Web: J97.909K
MDL: MFCD00036550
CoE Number: 2044
XlogP3-AA: 1.00 (est)
Molecular Weight: 128.17104000
Formula: C7 H12 O2
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: 415  2,3-heptanedione
DG SANTE Food Flavourings: 07.064  heptane-2,3-dione
FEMA Number: 2543 2,3-heptanedione
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):96-04-8 ; 2,3-HEPTANEDIONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 64.00 °C. @ 18.00 mm Hg
Boiling Point: 71.00 to  72.00 °C. @ 44.00 mm Hg
Vapor Pressure: 3.978000 mmHg @ 25.00 °C. (est)
Flash Point: 105.00 °F. TCC ( 40.56 °C. )
logP (o/w): 0.188 (est)
Soluble in:
 alcohol
 water, slightly
 water, 7.141e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
acetyl isovaleryl
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Organoleptic Properties:
 
Odor Type: buttery
 
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 
 buttery  cheesy  oily  
Odor Description:
at 1.00 % in dipropylene glycol. 
butter cheese oily fresh yogurt
 
 
Flavor Type: buttery
 
 dairy  buttery  butterscotch  rummy  caramellic  
Taste Description:
sweet dairy butter butterscotch butter rum caramel
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
ACETYL VALERYL ≥97.0%
Odor Description: Strong buttery topnotes with a fresh yogurt aroma
Used for buttery notes in gourmand fragrances. Adds texture to jasmine and other white florals.
Taste Description: Sweet, dairy, butter notes similar to butterscotch, butter rum, and caramel
Dairy type flavors including butter, aged cheeses, butterscotch, yogurt, butter rum, and caramel.
 
Sigma-Aldrich
2,3-Heptanedione, ≥97%, FG
Odor Description: apple; berry; butter; cheese; oily; fruity; pineapple
 
 
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Cosmetic Information:
None found
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Suppliers:
Anhui Haibei
Acetyl Valeryl
Odor: Butter cheese oily
BOC Sciences
For experimental / research use only.
2,3-Heptanedione
CJ Latta & Associates
ACETYL VALERYL
Frinton Laboratories
For experimental / research use only.
2,3-Heptanedione
Lluch Essence
2,3-HEPTANEDIONE 97%
Odor: SWEET, FATTY, CHEESY
M&U International
ACETYL VALERYL
Nagar Haveli Perfumes & Aromatics
Acetyl Valeryl
Odor: Butter cheese oily
Nagar Haveli Perfumes & Aromatics
Acetyl Valeryl
Natural
Odor: Butter cheese oily
Pearlchem Corporation
Acetyl Valeryl
Sigma-Aldrich
2,3-Heptanedione, ≥97%, FG
Odor: apple; berry; butter; cheese; oily; fruity; pineapple
Certified Food Grade Products
Synerzine
acetyl valeryl (natural)
Synerzine
acetyl valeryl (synthetic)
TCI AMERICA
For experimental / research use only.
2,3-Heptanedione >98.0%(GC)
Vigon International
Acetyl Valeryl (2,3-Heptanedione)
WholeChem
2,3-Heptanedione
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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
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Safety in Use Information:
Category: flavor and fragrance agents
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: --
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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
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
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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
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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
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Potential Blenders and core components note
 
For Odor
acidic
acidic
isobutyric acidFL/FR
 cyclohexyl acetic acidFL/FR
2-methyl butyric acidFL/FR
balsamic
 cinnamyl benzoateFL/FR
bready
 coffee furanoneFL/FR
burnt
 rum etherFL/FR
buttery
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
 butyl octanoateFL/FR
3,4-hexane dioneFL/FR
caramellic
alpha,alpha-dimethyl anisyl acetoneFL/FR
cheesy
 butyric acidFL/FR
2-methyl hexanoic acidFL/FR
S-(methyl thio) butyrateFL/FR
2-methyl valeric acidFL/FR
2-methyl-2-hexenoic acidFR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
 waxy lactoneFL/FR
fatty
 butyl undecylenateFL/FR
 hexanoic acidFL/FR
 octanoic acidFL/FR
floral
 benzyl lactateFL/FR
 jasmin pyranoneFL/FR
 linalyl butyrateFL/FR
fruity
 acetoin acetateFL/FR
 cyclohexyl carboxylic acidFL/FR
gamma-decalactoneFL/FR
 ethyl lactateFL/FR
 filbert hexenoneFL/FR
 fleuramone (IFF)FR
4-heptanoneFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
 prenyl hexanoateFL/FR
 prenyl isobutyrateFL/FR
 sorbyl butyrateFL/FR
green
(Z)-4-heptenalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexenalFL/FR
2-(2-methyl allyl oxy) heptaneFR
mushroom
1-octen-3-yl butyrateFL/FR
nutty
2-ethyl pyrazineFL/FR
 nutty quinoxalineFL/FR
soapy
 ethyl undecanoateFL/FR
tropical
delta-dodecalactoneFL/FR
waxy
5(6)-decenoic acidFL/FR
2-methyl heptanoic acidFL/FR
 nonanoic acidFL/FR
2-nonanolFL/FR
 undecanoic acidFL/FR
 
For Flavor
 
No flavor group found for these
 benzyl lactateFL/FR
 butyl octanoateFL/FR
 cinnamyl benzoateFL/FR
6-decenoic acidFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
 ethyl cyclohexyl carboxylateFL
(E,E)-2,4-heptadien-1-olFL
(Z)-3-hexenoic acidFL
5-methyl hexanoic acidFL
3-(methyl thio) hexanalFL
4-methyl valeric acidFL
 prenyl hexanoateFL/FR
 prenyl isobutyrateFL/FR
 sodium 4-methyl-2-oxovalerateFL
acidic
isobutyric acidFL/FR
alliaceous
3-tetrahydrothiophenoneFL
bitter
 glyceryl tributyrateFL
burnt
 rum etherFL/FR
buttery
 butyroinFL
 diacetylFL
3,4-hexane dioneFL/FR
2-methyl valeric acidFL/FR
(E)-2-pentenoic acidFL
caramellic
 butterscotch cream flavorFL
 butterscotch flavorFL
3-methyl butyl 2-furyl butyrateFL
cheesy
 hexanoic acidFL/FR
coconut
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
creamy
 acetoin butyrateFL
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 butyl butyryl lactateFL/FR
5(6)-decenoic acidFL/FR
5,5-dibutyl dihydrofuran-2(3H)-oneFL
delta-dodecalactoneFL/FR
 jasmin pyranoneFL/FR
2-methyl-4-pentenoic acidFL
 waxy lactoneFL/FR
dairy
4-pentenoic acidFL
fatty
 diacetyl trimerFL
 dimethyl sulfoxideFL
 nonanoic acidFL/FR
(E)-2-octenoic acidFL
(E,E)-2,4-undecadienalFL
fermented
 methyl thio isovalerateFL
floral
 linalyl butyrateFL/FR
fruity
 acetoin acetateFL/FR
 acetyl isovalerylFL
 bananas foster flavorFL
 cyclohexyl carboxylic acidFL/FR
gamma-decalactoneFL/FR
 ethyl lactateFL/FR
 filbert hexenoneFL/FR
4-heptanoneFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
2-methyl butyric acidFL/FR
 sorbyl butyrateFL/FR
green
(Z)-4-heptenalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexenalFL/FR
meaty
2-methyl 3-(methyl thio) furanFL
mushroom
1-octen-3-yl butyrateFL/FR
musty
S-(methyl thio) butyrateFL/FR
nutty
 coffee furanoneFL/FR
2-ethyl pyrazineFL/FR
 nutty quinoxalineFL/FR
oily
2-methyl hexanoic acidFL/FR
soapy
 octanoic acidFL/FR
sour
 butyric acidFL/FR
2,4-dimethyl-2-pentenoic acidFL
3-methyl valeric acidFL
sulfurous
 methyl 4-(methyl thio) butyrateFL
sweet
 cyclohexyl acetic acidFL/FR
toasted
 acetyl propionylFL/FR
waxy
 butyl undecylenateFL/FR
 ethyl undecanoateFL/FR
2-methyl heptanoic acidFL/FR
2-nonanolFL/FR
 undecanoic acidFL/FR
 
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Potential Uses:
 appleFR
 berryFR
 butterFR
 butterscotchFR
 cheeseFL
 coffeeFR
 nutFL
 pineappleFR
 saffronFR
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Occurrence (nature, food, other): note
 beer
Search  PMC Picture
 cheese
Search  PMC Picture
 mushroom
Search  PMC Picture
 rum
Search  PMC Picture
 soybean
Search Trop  Picture
 tomato
Search Trop  Picture
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Synonyms:
 acetyl pentanoyl
 acetyl valerianyl
 acetyl valeryl
 acetyl valeryl natural
 acetylvalerianyl
 acetylvaleryl
 heptane-2,3-dione
2,3-heptanedione
 valeryl acetyl
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