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

2,3-octane dione
2,3-octanedione

Supplier Sponsors

Name:octane-2,3-dione
CAS Number: 585-25-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-552-9
FDA UNII:267Z8UAR9Q
Nikkaji Web:J95.016E
CoE Number:11166
XlogP3-AA:1.50 (est)
Molecular Weight:142.19798000
Formula:C8 H14 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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
JECFA Food Flavoring:2036 2,3-octanedione
FLAVIS Number:07.248 (Old)
DG SANTE Food Flavourings:07.248 octane-2,3-dione
FEMA Number:4060 2,3-octanedione
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):585-25-1 ; 2,3-OCTANEDIONE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90500 to 0.91500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.531 to 7.614
Refractive Index:1.41900 to 1.42400 @ 20.00 °C.
Boiling Point: 169.00 to 170.00 °C. @ 760.00 mm Hg
Boiling Point: 57.00 to 59.00 °C. @ 10.00 mm Hg
Vapor Pressure:1.297000 mmHg @ 25.00 °C. (est)
Flash Point: 133.00 °F. TCC ( 56.11 °C. )
logP (o/w): 0.698 (est)
Soluble in:
 alcohol
 water, 2.384e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: dill
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
dill asparagus cilantro herbal aldehydic earthy fatty cortex
Odor Description:at 10.00 % in dipropylene glycol. dill asparagus cilantro herbal aldehydic earthy fatty cortex
Odor sample from: Kingchem Laboratories Inc.
Flavor Type: green
green spicy cilantro fatty leafy cortex herbal
Taste Description: green spicy cilantro fatty leafy cortex herbal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,3-Octanedione 98%
CJ Latta & Associates
2,3-OCTANEDIONE
Kingchem Laboratories
2, 3 OCTANEDIONE
Odor: Dill, cooked broccoli
Parchem
2,3-octane dione
Penta International
2,3-OCTANEDIONE 1% IN ETHYL ALCOHOL
Penta International
2,3-OCTANEDIONE
 
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: flavoring agents
Recommendation for 2,3-octane dione usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
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: 21
 average usual ppmaverage maximum ppm
baked goods: 20.0000020.00000
beverages(nonalcoholic): 8.0000016.00000
beverages(alcoholic): 8.0000016.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 12.0000024.00000
fruit ices: --
gelatins / puddings: 12.0000024.00000
granulated sugar: --
gravies: 8.0000016.00000
hard candy: 16.0000032.00000
imitation dairy: 8.0000016.00000
instant coffee / tea: --
jams / jellies: --
meat products: 8.0000016.00000
milk products: 8.0000016.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 8.0000016.00000
snack foods: 8.0000016.00000
soft candy: 12.0000024.00000
soups: 8.0000016.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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):

Scientific Opinion on Flavouring Group Evaluation 11, Revision 2 (FGE.11Rev2): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 11, Revision 3 (FGE.11Rev3): Aliphatic dialcohols, diketones, and hydroxyketones from chemical groups 8 and 10
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11449
National Institute of Allergy and Infectious Diseases:Data
octane-2,3-dione
Chemidplus:0000585251
 
References:
 octane-2,3-dione
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11449
Pubchem (sid):134978659
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB31293
FooDB:FDB003341
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2,3-Octanedione
 
Potential Blenders and core components note
For Odor
citrus
bergamot oil turkey
FL/FR
floral
cilantro herb oil egypt
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geranium oil bourbon
FL/FR
geranium oil china
FL/FR
iso
jasmone
FL/FR
3-
nonanone
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
fruity
para-
anisyl methyl ketone
FL/FR
(E)-2-
hexen-1-ol
FL/FR
green
cumin acetaldehyde
FL/FR
black
currant bud absolute replacer
FL/FR
iso
cyclocitral (IFF)
FL/FR
phenethyl tiglate
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
(+)-alpha-
campholenic aldehyde
FL/FR
clary sage oil america
FL/FR
clary sage oil france
FL/FR
clary sage oil russia
FL/FR
coriander oleoresin
FL/FR
lavender absolute france
FL/FR
spike
lavender oil
FL/FR
curled
parsley leaf oil
FL/FR
curled
parsley seed oil
FL/FR
minty
dextro-
dihydrocarvone
FL/FR
spicy
iso
butyl angelate
FL/FR
cardamom seed oil CO2 extract
FL/FR
cuminaldehyde
FL/FR
black
currant bud absolute
FL/FR
2-
octanol
FL/FR
waxy
(Z)-3-
nonen-1-ol
FL/FR
woody
camphene
FL/FR
For Flavor
camphoreous
camphene
FL/FR
citrus
bergamot oil turkey
FL/FR
cooling
spike
lavender oil
FL/FR
floral
dimethyl benzyl carbinyl acetate
FL/FR
geranium oil bourbon
FL/FR
geranium oil china
FL/FR
fruity
black
currant bud absolute replacer
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
green
iso
butyl angelate
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
cumin acetaldehyde
FL/FR
iso
cyclocitral (IFF)
FL/FR
dextro-
dihydrocarvone
FL/FR
green flavor
FL
(E)-2-
hexen-1-ol
FL/FR
horseradish oil
FL
iso
jasmone
FL/FR
3-
nonanone
FL/FR
phenethyl tiglate
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
cilantro herb oil egypt
FL/FR
clary sage oil america
FL/FR
clary sage oil france
FL/FR
clary sage oil russia
FL/FR
coriander oleoresin
FL/FR
lavender absolute france
FL/FR
parsley flavor
FL
curled
parsley leaf oil
FL/FR
curled
parsley oleoresin
FL
curled
parsley seed oil
FL/FR
radish
horseradish flavor
FL
spicy
para-
anisyl methyl ketone
FL/FR
benzyl isothiocyanate
FL
cardamom seed oil CO2 extract
FL/FR
cumin oleoresin
FL
cuminaldehyde
FL/FR
black
currant bud absolute
FL/FR
2-
octanol
FL/FR
waxy
(Z)-3-
nonen-1-ol
FL/FR
 
Potential Uses:
FLdairy
FRfruit
FLmeat
FLvegetable
 
Occurrence (nature, food, other):note
 asparagus cooked asparagus
Search Trop Picture
 beef roasted - up to 0.03 mg/kg
Search PMC Picture
 chicken roasted chicken - up to 0.07
Search PMC Picture
 fish lean - 0.1 mg/kg
Search PMC Picture
 guinea hen - up to 0.112 mg/kg
Search PMC Picture
 lamb fat - up to 108 mg/kg
Search PMC Picture
 melissa oil slovak republic @ trace%
Data GC Search Trop Picture
 mushroom
Search PMC Picture
 mutton fat - up to 108 mg/kg
Search PMC Picture
 peanut - 0.01 mg/kg
Search Trop Picture
 rosemary sap
Search Trop Picture
 turkey roasted turkey - up to 0.2 mg/kg
Search Picture
 
Synonyms:
 octane-2,3-dione
2, 3 octanedione
2,3-octanedione
 

Articles:

Perfumer & Flavorist:Ingredient Profile: 2,3-Octanedione
PubMed:Traceability of grass feeding in beef: terpenes, 2,3-octanedione and skatole accumulation in adipose tissue of young bulls.
PubMed:Freshness characterisation of whiting (Merlangius merlangus) using an SPME/GC/MS method and a statistical multivariate approach.
PubMed:Latency and persistence of diet volatile biomarkers in lamb fats.
PubMed:Authentication of meat products: determination of animal feeding by parallel GC-MS analysis of three adipose tissues.
PubMed:Effect of enhancement and ageing on flavor and volatile compounds in various beef muscles.
PubMed:Fat volatiles tracers of grass feeding in sheep.
PubMed:Aroma compounds formed from 3-methyl-2,4-nonanedione under photooxidative conditions.
PubMed:Fat-borne volatiles and sheepmeat odour.
 
Notes:
Flavouring material for coffee
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