Identification

Namecognac heptanone
IUPAC2,6-dimethylheptan-4-one
CAS Number108-83-8
EINECS203-620-1
FDA UNIIV52W30H1BU
Molecular FormulaC9 H18 O
Molecular Weight142.24166000
MDL NumberMFCD00008940
Nikkaji NumberJ5.081D
Beilstein1743163
CoE Number11914

Regulatory

JECFA Food Flavoring302 2,6-dimethyl-4-heptanone
DG SANTE Food Flavourings07.122 2,6-dimethylheptan-4-one
FEMA Number3537
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)108-83-8 ; DIISOBUTYL KETONE
FDA RegulationFDA 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

CosIngcosmetic data
Cosmetic Usesperfuming 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 SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 5750 mg/kg
Dermal Toxicityskin-rabbit LD50 16000 mg/kg
Inhalation Toxicityinhalation-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

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for cognac heptanone usage levels up to1.0000 % 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

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Penta International Corporation

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Sigma-Aldrich

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Synerzine, Inc.

Innovation. Customization. Aroma Ingredients.

Synerzine is a leading supplier of flavor and fragrance ingredients.

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TCI AMERICA

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We continuously strive to advance our technology.

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Potential Uses

FR banana FR cognac FR green FR orange FR passion fruit FR pear FR pineapple FR saffron FR strawberry FL tropical

Natural Occurrence

cognac PMC wine red wine wine white wine

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.