cognac heptanone
2,6-dimethyl-4-heptanone
Identification
| Name | cognac heptanone |
| IUPAC | 2,6-dimethylheptan-4-one |
| CAS Number | 108-83-8 |
| EINECS | 203-620-1 |
| FDA UNII | V52W30H1BU |
| Molecular Formula | C9 H18 O |
| Molecular Weight | 142.24166000 |
| MDL Number | MFCD00008940 |
| Nikkaji Number | J5.081D |
| Beilstein | 1743163 |
| CoE Number | 11914 |
Regulatory
| JECFA Food Flavoring | 302 2,6-dimethyl-4-heptanone |
| DG SANTE Food Flavourings | 07.122 2,6-dimethylheptan-4-one |
| FEMA Number | 3537 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 108-83-8 ; DIISOBUTYL KETONE |
| FDA Regulation | FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.80500 to 0.81000 @ 20.00 °C. |
| Pounds per Gallon - (est). | 6.706 to 6.748 |
| Refractive Index | 1.41100 to 1.41600 @ 20.00 °C. |
| Melting Point | -41.50 °C. @ 760.00 mm Hg |
| Boiling Point | 169.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.650000 mmHg @ 25.00 °C. |
| Vapor Density | 4.9 ( Air = 1 ) |
| Flash Point | 118.00 °F. TCC ( 47.78 °C. ) |
| logP (o/w) | 2.560 |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 1.00 % in dipropylene glycol. Green, etherial, fruity, ketonic, metallic, fermented, pineapple and banana
|
| Taste Description | at 4.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 5750 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 16000 mg/kg |
| Inhalation Toxicity | inhalation-human TCLo 50 ppm |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for cognac heptanone usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.18 (μg/capita/day) |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | - |
ECSA Chemicals
Human Chemistry
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Penta International Corporation
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Synerzine, Inc.
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Potential Uses
Natural Occurrence
Synonyms
iso
butyl ketone
cognac heptanone
di-isobutylcetone
DIBK
diisobutilchetone
diisobutyl ketone
sec-
diisopropyl acetone
2,6-
dimethyl heptan-4-one
2,6-
dimethyl heptanone
2,6-
dimethyl-4-heptanone
2,6-
dimethyl-4-heptanone, pure
2,6-
dimethyl-heptan-4-one
2,6-
dimethylheptan-4-one
4-
heptanone, 2,6-dimethyl-
heptanone, 2,6-dimethyl-, 4-
ketone, di-isobutyl
iso
valerone
PubMed:
Comparative metabolism and pharmacokinetics of diisobutyl ketone and diisobutyl carbinol in male SD rats.
PubMed:
Efficient hydrodeoxygenation of biomass-derived ketones over bifunctional Pt-polyoxometalate catalyst.
PubMed:
A bio-catalytic approach to aliphatic ketones.
PubMed:
Fast, selective, and sensitive analysis of low-abundance peptides in human plasma by electromembrane extraction.
PubMed:
Direct determination of bromine in plastics by electrothermal vaporization/inductively coupled plasma mass spectrometry using a tungsten boat furnace vaporizer and an exchangeable sample cuvette system.
PubMed:
Calculation of contact angles from surfactant adsorption isotherms.
PubMed:
Flow injection wetting-film extraction system for flame atomic absorption spectrometric determination of cadmium in environmental waters.
PubMed:
Biological treatment of a contaminated gaseous emission from a leather industry in a suspended-growth bioreactor.
PubMed:
[Thermal desorption gas chromatography for determination of diisobutyl ketone in air of working places].
PubMed:
Genetic algorithm for the determination of binodal curves in ternary systems polymer-liquid(1)-liquid(2) and polymer(1)-polymer(2)-solvent.
PubMed:
Synthesis of the O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine oximes of selected carbonyl compounds and their determination by liquid chromatography with ultraviolet detection.
PubMed:
Surfactant-Mediated Transfer of Colloidal Silica Particles from Water into an Immiscible Weakly Polar Solvent.
PubMed:
Magnetic resonance imaging (MRI), neurobehavioral testing, and toxic encephalopathy: two cases.
PubMed:
Hyalin droplet nephrosis in male Fischer-344 rats following inhalation of diisobutyl ketone.
PubMed:
Quantitative evaluation of sensory irritating and neurobehavioural properties of aliphatic ketones in mice.
PubMed:
Concentration-dependent behavioral changes in mice following short-term inhalation exposure to various industrial solvents.
PubMed:
Delineation of the intimate details of the backbone conformation of pyridine nucleotide coenzymes in aqueous solution.
PubMed:
Toxicity and hazard of diisobutyl ketone vapors.