2,3-octane dione
2,3-octanedione
Identification
| Name | 2,3-octane dione |
| IUPAC | octane-2,3-dione |
| CAS Number | 585-25-1 |
| EINECS | 209-552-9 |
| FDA UNII | 267Z8UAR9Q |
| Molecular Formula | C8 H14 O2 |
| Molecular Weight | 142.19798000 |
| Nikkaji Number | J95.016E |
| CoE Number | 11166 |
Regulatory
| JECFA Food Flavoring | 2036 2,3-octanedione |
| DG SANTE Food Flavourings | 07.248 octane-2,3-dione |
| FEMA Number | 4060 |
| 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, 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 |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 10.00 % in dipropylene glycol. |
| Odor sample from | Kingchem Laboratories Inc. |
| Taste Description | green spicy cilantro fatty leafy cortex herbal |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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 |
| baked goods | 20.00000 |
| beverages(nonalcoholic) | 8.00000 |
| beverages(alcoholic) | 8.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 12.00000 |
| fruit ices | - |
| gelatins / puddings | 12.00000 |
| granulated sugar | - |
| gravies | 8.00000 |
| hard candy | 16.00000 |
| imitation dairy | 8.00000 |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 8.00000 |
| milk products | 8.00000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 8.00000 |
| snack foods | 8.00000 |
| soft candy | 12.00000 |
| soups | 8.00000 |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | 3.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 2.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 3.00000 |
| Processed fruit (04.1) | 2.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 4.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 2.00000 |
| Bakery wares (07.0) | 5.00000 |
| Meat and meat products, including poultry and game (08.0) | 1.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 1.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 2.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 3.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 4.00000 |
| Ready-to-eat savouries (15.0) | 5.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 2.00000 |
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Potential Uses
Natural Occurrence
Synonyms
octane-2,3-dione
2, 3
octanedione
2,3-
octanedione
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.