EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2,3-heptane dione
2,3-heptanedione

Sponsors

Name:heptane-2,3-dione
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
FLAVIS Number:07.064 (Old)
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: 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.
 
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 mm/Hg @ 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
 
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
 
Cosmetic Information:
None found
 
Suppliers:
Anhui Haibei
Acetyl Valeryl
Odor: Butter cheese oily
Bedoukian Research
ACETYL VALERYL
≥97.0%
Odor: Strong buttery topnotes with a fresh yogurt aroma
Use: Used for buttery notes in gourmand fragrances. Adds texture to jasmine and other white florals.
Flavor: Sweet, dairy, butter notes similar to butterscotch, butter rum, and caramel
Dairy type flavors including butter, aged cheeses, butterscotch, yogurt, butter rum, and caramel.
BOC Sciences
For experimental / research use only.
2,3-Heptanedione
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
Penta International
ACETYL VALERYL NATURAL , Kosher
Penta International
ACETYL VALERYL, Kosher
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)
 
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
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
 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
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
 
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
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (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
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
2-
methyl butyric acid
FL/FR
balsamic
cinnamyl benzoate
FL/FR
bready
coffee furanone
FL/FR
burnt
rum ether
FL/FR
buttery
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
butyl octanoate
FL/FR
3,4-
hexane dione
FL/FR
caramellic
alpha,alpha-
dimethyl anisyl acetone
FL/FR
cheesy
butyric acid
FL/FR
2-
methyl hexanoic acid
FL/FR
S-(
methyl thio) butyrate
FL/FR
2-
methyl valeric acid
FL/FR
2-
methyl-2-hexenoic acid
FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
creamy
waxy lactone
FL/FR
fatty
butyl undecylenate
FL/FR
hexanoic acid
FL/FR
octanoic acid
FL/FR
floral
benzyl lactate
FL/FR
jasmin pyranone
FL/FR
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
cyclohexyl carboxylic acid
FL/FR
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
filbert hexenone
FL/FR
fleuramone (IFF)
FR
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
prenyl hexanoate
FL/FR
prenyl isobutyrate
FL/FR
sorbyl butyrate
FL/FR
green
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexenal
FL/FR
2-(2-
methyl allyl oxy) heptane
FR
mushroom
1-
octen-3-yl butyrate
FL/FR
nutty
2-
ethyl pyrazine
FL/FR
nutty quinoxaline
FL/FR
soapy
ethyl undecanoate
FL/FR
tropical
delta-
dodecalactone
FL/FR
waxy
5(6)-
decenoic acid
FL/FR
2-
methyl heptanoic acid
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
benzyl lactate
FL/FR
butyl octanoate
FL/FR
cinnamyl benzoate
FL/FR
6-
decenoic acid
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl cyclohexyl carboxylate
FL
(E,E)-2,4-
heptadien-1-ol
FL
(Z)-3-
hexenoic acid
FL
5-
methyl hexanoic acid
FL
3-(
methyl thio) hexanal
FL
4-
methyl valeric acid
FL
prenyl hexanoate
FL/FR
prenyl isobutyrate
FL/FR
sodium 4-methyl-2-oxovalerate
FL
acidic
acidic
iso
butyric acid
FL/FR
alliaceous
3-
tetrahydrothiophenone
FL
bitter
glyceryl tributyrate
FL
burnt
rum ether
FL/FR
buttery
butyroin
FL
diacetyl
FL
3,4-
hexane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
caramellic
3-
methyl butyl 2-furyl butyrate
FL
cheesy
hexanoic acid
FL/FR
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
creamy
acetoin butyrate
FL
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
butyl butyryl lactate
FL/FR
5(6)-
decenoic acid
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
delta-
dodecalactone
FL/FR
jasmin pyranone
FL/FR
2-
methyl-4-pentenoic acid
FL
waxy lactone
FL/FR
dairy
4-
pentenoic acid
FL
fatty
diacetyl trimer
FL
dimethyl sulfoxide
FL
nonanoic acid
FL/FR
(E)-2-
octenoic acid
FL
(E,E)-2,4-
undecadienal
FL
fermented
methyl thio isovalerate
FL
floral
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
acetyl isovaleryl
FL
cyclohexyl carboxylic acid
FL/FR
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
filbert hexenone
FL/FR
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl butyric acid
FL/FR
sorbyl butyrate
FL/FR
green
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexenal
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
mushroom
1-
octen-3-yl butyrate
FL/FR
musty
S-(
methyl thio) butyrate
FL/FR
nutty
coffee furanone
FL/FR
2-
ethyl pyrazine
FL/FR
nutty quinoxaline
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
soapy
octanoic acid
FL/FR
sour
butyric acid
FL/FR
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
sulfurous
methyl 4-(methyl thio) butyrate
FL
sweet
cyclohexyl acetic acid
FL/FR
toasted
acetyl propionyl
FL/FR
waxy
butyl undecylenate
FL/FR
ethyl undecanoate
FL/FR
2-
methyl heptanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
 
Potential Uses:
FRapple
FRberry
FRbutter
FRbutterscotch
FLcheese
FRcoffee
FLnut
FRpineapple
FRsaffron
 
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
 
Synonyms:
 acetyl pentanoyl
 acetyl valerianyl
 acetyl valeryl
 acetyl valeryl natural
 acetylvalerianyl
 acetylvaleryl
 heptane-2,3-dione
2,3-heptanedione
 valeryl acetyl
 
 
Notes:
Flavour ingredient. Found in tomato, beer, rum, soybean, mushroom and shoyn
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