2,3-octane dione
2,3-octanedione
 
Notes:
Flavouring material for coffee
  • BOC Sciences
    • BOC Sciences
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      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
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      Product(s):
      585-25-1 2,3-Octanedione 98%
       
  • CJ Latta & Associates
    • CJ Latta & Associates, LLC
      Extensive Line
      Aromatic Chemicals and Organic Acids.
      CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients.
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      Product(s):
      2,3-OCTANEDIONE
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      15-09750 2,3-OCTANEDIONE
      15-09755 2,3-OCTANEDIONE 1% IN ETHYL ALCOHOL
       
Synonyms   Articles   Notes   Search
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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 2036  2,3-octanedione
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
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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
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Organoleptic Properties:
 
Odor Type: dill
 
 dill  asparagus  cilantro  herbal  aldehydic  earthy  fatty  cortex  
Odor Description:
at 10.00 % in dipropylene glycol. 
dill asparagus cilantro herbal aldehydic earthy fatty cortex
Luebke, William tgsc, (2017)
 
 
Flavor Type: green
 
 green  spicy  cilantro  fatty  leafy  cortex  herbal  
Taste Description:
green spicy cilantro fatty leafy cortex herbal
Luebke, William tgsc, (2017)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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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
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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
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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
Click here to view publication 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
Chewing gum (05.0): --
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
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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):
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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
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References:
 octane-2,3-dione
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 11449
Pubchem (sid): 134978659
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
HMDB (The Human Metabolome Database): HMDB31293
FooDB: FDB003341
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: 2,3-Octanedione
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Potential Blenders and core components note
 
For Odor
citrus
citrus
 bergamot oil turkeyFL/FR
floral
 cilantro herb oil egyptFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geranium oil bourbonFL/FR
 geranium oil chinaFL/FR
isojasmoneFL/FR
3-nonanoneFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
fruity
para-anisyl methyl ketoneFL/FR
(E)-2-hexen-1-olFL/FR
green
 cumin acetaldehydeFL/FR
black currant bud absolute replacerFL/FR
isocyclocitral (IFF)FL/FR
 phenethyl tiglateFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
(+)-alpha-campholenic aldehydeFL/FR
 clary sage oil americaFL/FR
 clary sage oil franceFL/FR
 clary sage oil russiaFL/FR
 coriander oleoresinFL/FR
 lavender absolute franceFL/FR
spike lavender oilFL/FR
curled parsley leaf oilFL/FR
curled parsley seed oilFL/FR
minty
dextro-dihydrocarvoneFL/FR
spicy
isobutyl angelateFL/FR
 cardamom seed oil CO2 extractFL/FR
 cuminaldehydeFL/FR
black currant bud absoluteFL/FR
2-octanolFL/FR
waxy
(Z)-3-nonen-1-olFL/FR
woody
 campheneFL/FR
 
For Flavor
 
camphoreous
 campheneFL/FR
citrus
 bergamot oil turkeyFL/FR
cooling
spike lavender oilFL/FR
floral
 dimethyl benzyl carbinyl acetateFL/FR
 geranium oil bourbonFL/FR
 geranium oil chinaFL/FR
fruity
black currant bud absolute replacerFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
green
isobutyl angelateFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 cumin acetaldehydeFL/FR
isocyclocitral (IFF)FL/FR
dextro-dihydrocarvoneFL/FR
 green flavorFL
(E)-2-hexen-1-olFL/FR
 horseradish oilFL
isojasmoneFL/FR
3-nonanoneFL/FR
 phenethyl tiglateFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
 cilantro herb oil egyptFL/FR
 clary sage oil americaFL/FR
 clary sage oil franceFL/FR
 clary sage oil russiaFL/FR
 coriander oleoresinFL/FR
 lavender absolute franceFL/FR
 parsley flavorFL
curled parsley leaf oilFL/FR
curled parsley oleoresinFL
curled parsley seed oilFL/FR
radish
 horseradish flavorFL
spicy
para-anisyl methyl ketoneFL/FR
 benzyl isothiocyanateFL
 cardamom seed oil CO2 extractFL/FR
 cumin oleoresinFL
 cuminaldehydeFL/FR
black currant bud absoluteFL/FR
2-octanolFL/FR
waxy
(Z)-3-nonen-1-olFL/FR
 
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Potential Uses:
 dairyFL
 fruitFR
 meatFL
 vegetableFL
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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
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Synonyms:
 octane-2,3-dione
2, 3 octanedione
2,3-octanedione
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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.
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