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

cognac heptanone
2,6-dimethyl-4-heptanone

Sponsors

Name:2,6-dimethylheptan-4-one
CAS Number: 108-83-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-620-1
FDA UNII:V52W30H1BU
Nikkaji Web:J5.081D
Beilstein Number:1743163
MDL:MFCD00008940
CoE Number:11914
XlogP3-AA:2.50 (est)
Molecular Weight:142.24166000
Formula:C9 H18 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
At least 80%; secondary component 15-17% 4,6-dimethyl-2-heptanone. (JECFA)
Category:flavor and fragrance 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:302 2,6-dimethyl-4-heptanone
FLAVIS Number:07.122 (Old)
DG SANTE Food Flavourings:07.122 2,6-dimethylheptan-4-one
FEMA Number:3537 2,6-dimethyl-4-heptanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: DIISOBUTYL KETONE
FDA Regulation:
FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.
 
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 mm/Hg @ 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
 water, 2640 mg/L @ 24C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium ,
recommend smelling in a 1.00 % solution or less
green fruity metallic pineapple banana
Odor Description:at 1.00 % in dipropylene glycol. green fruity metallic pineapple banana
green ethereal fruity ketonic metallic fermented pineapple banana
Odor Description:Green, etherial, fruity, ketonic, metallic, fermented, pineapple and banana
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
Flavor Type: citrus
cognac citrus fruity pineapple banana pear tropical
Taste Description: at 4.00 ppm. Cognac, citrus, fruity, pineapple, banana, pear and tropical nuances
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Eastman Chemical
DIBK
Odor: characteristic
Use: Eastman™ DIBK (Diisobutyl Ketone) is a slow evaporating, low density solvent that has good activity for many synthetic resins including nitrocellulose, rosin esters, phenolics, hydrocarbons, alkyds, polyesters, and acrylics. It is useful as a retarder solvent to improve flow and minimize humidity blushing. The low density and low surface tension of DIBK enables formulators to develop high-solids coatings with low VOC content and excellent flow and leveling properties.
EMD Millipore
For experimental / research use only.
Diisobutyl ketone
Nagar Haveli Perfumes & Aromatics
2,6 - dimethyl heptanone
Natural
Odor: Green, etherial, fruity, ketonic, metallic, fermented, pineapple and banana
Penta International
2,6-DIMETHYL-4-HEPTANONE, Kosher
Penta International
2,6-DIMETHYL-4-HEPTANONE, PURE, Kosher
Sigma-Aldrich
2,6-Dimethyl-4-heptanone, ≥99%
Odor: fruity; ethereal; vanilla
Certified Food Grade Products
Silver Fern Chemical
Diisobutyl Ketone (DIBK)
Odor: characteristic
Use: DIBK is used in many applications such as nitrocellulose lacquers, synthetic resins, coatings and stains, paint strippers, leather finishings, adhesives, printing and coating inks, cleaning and dregreasing, solvent and re-crystallization aid for pharmaceuticals, mining, and as a chemical intermediate.
Synerzine
2,6-Dimethyl-4-heptanone
TCI AMERICA
For experimental / research use only.
2,6-Dimethyl-4-heptanone >90.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 37 - Irritating to respiratory system.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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:
oral-rat LD50 5750 mg/kg
(Smyth et al., 1949)

oral-mouse LD50 2800 mg/kg
(McOmie & Anderson, 1949a)

oral-mouse LD50 1416 mg/kg
(RTECS, 1975)

oral-mouse LD50 1416 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.

oral-rat LD50 5750 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 23, 1974.

Dermal Toxicity:
skin-rabbit LD50 16000 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 23, 1974.

Inhalation Toxicity:
inhalation-human TCLo 50 ppm
SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: HEADACHE GASTROINTESTINAL: NAUSEA OR VOMITING
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 23, 1974.

inhalation-rat LCLo 2000 ppm/4H
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.

 
Safety in Use Information:
Category: flavor and fragrance agents
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)
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: 11
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -0.80000
beverages(alcoholic): -1.10000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.00000
fruit ices: --
gelatins / puddings: -1.10000
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: -5.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):108-83-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7958
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1157
WGK Germany:1
2,6-dimethylheptan-4-one
Chemidplus:0000108838
EPA/NOAA CAMEO:hazardous materials
RTECS:108-83-8
 
References:
 2,6-dimethylheptan-4-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:108-83-8
Pubchem (cid):7958
Pubchem (sid):134973328
 
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 Everything Added to Food in the United States (EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31417
FooDB:FDB003494
Export Tariff Code:2914.19.0000
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Formulations/Preparations:
grade: technical
 
Potential Blenders and core components note
For Odor
alcoholic
fusel oil
FL/FR
balsamic
benzophenone
FR
chemical
iso
butyl formate
FL/FR
citrus
bitter
orange peel oil brazil
FL/FR
ethereal
acetal
FL/FR
butyl acetate
FL/FR
cyclohexyl formate
FL/FR
decyl propionate
FL/FR
ethyl 4-pentenoate
FL/FR
ethyl acetate
FL/FR
ethyl formate
FL/FR
ethyl pyruvate
FL/FR
1-
hexen-3-ol
FL/FR
2-
methyl valeraldehyde
FL/FR
iso
propyl acetate
FL/FR
propyl formate
FL/FR
propyl valerate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
allyl octanoate
FL/FR
fermented
iso
butyl decanoate
FL/FR
hexanal diethyl acetal
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
boronia absolute
FL/FR
butyl tiglate
FR
citronellol
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
geranyl formate
FL/FR
geranyl isobutyrate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hyacinth ether
FR
linalyl butyrate
FL/FR
linalyl propionate
FL/FR
methyl dihydrojasmonate
FL/FR
nerolidol
FL/FR
(E)-
nerolidol
FL/FR
nonan-3-yl acetate
FL/FR
phenethyl isovalerate
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
acetaldehyde diisoamyl acetal
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
amyl acetate
FL/FR
amyl butyrate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
benzyl methyl ether
FL/FR
iso
butyl 2-methyl butyrate
FL/FR
iso
butyl acetate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
iso
butyl valerate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
gamma-
dodecalactone
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl propionate
FL/FR
geranyl ethyl ether
FL/FR
4-
heptanone
FL/FR
heptyl isobutyrate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
methyl isovalerate
FL/FR
peach cyclopentanone
FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
green note propionate
FL/FR
3-
heptanone
FL/FR
3-
hepten-2-one
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
3-
octyl formate
FL/FR
(Z)-2-
penten-1-ol
FL/FR
3-
phenyl propionaldehyde
FL/FR
tiglaldehyde
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
5-
methyl-3-heptanone
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
myrcene
FR
waxy
ethyl octanoate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde 1,3-octane diol acetal
FL
acetaldehyde diisoamyl acetal
FL/FR
iso
butyl decanoate
FL/FR
butyl methyl ketone
FL
decyl propionate
FL/FR
ethyl 2-methyl-2-(methyl thio) propionate
FL
ethyl 4-pentenoate
FL/FR
geranyl ethyl ether
FL/FR
2-
heptenoic acid
FL
hexanal diethyl acetal
FL/FR
2-
methyl butyl isobutyrate
FL
2-
methyl butyl propionate
FL
S-(
methyl thio) hexanoate
FL
nonan-3-yl acetate
FL/FR
propyl valerate
FL/FR
berry
berry
heptyl isobutyrate
FL/FR
creamy
3-
hepten-2-one
FL/FR
ethereal
butyl acetate
FL/FR
ethyl acetate
FL/FR
ethyl formate
FL/FR
methyl isobutyrate
FL/FR
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
floral
citronellol
FL/FR
citronellyl propionate
FL/FR
geranyl isobutyrate
FL/FR
linalyl butyrate
FL/FR
methyl dihydrojasmonate
FL/FR
fruity
acai pineapple flavor
FL
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
amyl acetate
FL/FR
amyl butyrate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
benzyl methyl ether
FL/FR
boronia absolute
FL/FR
iso
butyl 2-methyl butyrate
FL/FR
iso
butyl acetate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
iso
butyl valerate
FL/FR
cherimoya flavor
FL
cinnamyl isobutyrate
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
gamma-
dodecalactone
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-oxohexanoate
FL
2-
ethyl butyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl propionate
FL/FR
furfuryl valerate
FL
2-
furyl pentyl ketone
FL
fusel oil
FL/FR
guava pineapple flavor
FL
4-
heptanone
FL/FR
methionyl butyrate
FL
methyl 2-methyl butyrate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl allyl butyrate
FL
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
5-
methyl-3-heptanone
FL/FR
bitter
orange peel oil brazil
FL/FR
orange pineapple banana flavor
FL
phenethyl isovalerate
FL/FR
propyl formate
FL/FR
propyl hexanoate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tiglaldehyde
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fusel
methyl butyrate
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
(E)-
citronellyl tiglate
FL/FR
cyclohexyl formate
FL/FR
2-
ethyl butyraldehyde
FL
geranyl formate
FL/FR
green note propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
1-
hexen-3-ol
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
4-
methyl-2-pentenal
FL
nerolidol
FL/FR
(E)-
nerolidol
FL/FR
(Z)-2-
penten-1-ol
FL/FR
3-
phenyl propionaldehyde
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
linalyl propionate
FL/FR
ketonic
3-
heptanone
FL/FR
nutty
acetal
FL/FR
rummy
iso
butyl formate
FL/FR
ethyl pyruvate
FL/FR
tropical
malibu moment flavor
FL
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
ethyl octanoate
FL/FR
ethyl undecanoate
FL/FR
furfuryl octanoate
FL
alpha-
hexyl cinnamaldehyde
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FRbanana
FRcognac
FRgreen
FRorange
FRpassion fruit
FRpear
FRpineapple
FRsaffron
FRstrawberry
FLtropical
 
Occurrence (nature, food, other):note
 cognac
Search PMC Picture
 wine red wine
Search Picture
 wine white wine
Search Picture
 
Synonyms:
isobutyl 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
isovalerone
 

Articles:

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.
 
Notes:
Flavouring ingredient
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