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3-nonanone

Chemical Structure

General Material Information

Preferred name 3-nonanone
Trivial Name 3-Nonanone
Short Description ethyl hexyl ketone
Formula C9 H18 O
CAS Number 925-78-0
FEMA Number 3440
Flavis Number 7.113
ECHA Number 213-125-2
FDA UNII 00C380UHNL
Nikkaji Number J121.213C
Beilstein Number 1700447
MDL MFCD00009541
COE Number 11160
NMR Predictor External link
JECFA Food Flavoring 294 3-nonanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 925-78-0 ; 3-NONANONE
Synonyms
  • ethyl hexyl ketone
  • ethyl N-hexyl ketone
  • ethylhexyl ketone
  • N- hexyl ethyl ketone
  • ketone, ethyl hexyl
  • nonan-3-one
  • 3-nonanone
  • 3-nonanone natural
  • n-Hexyl ethyl ketone

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
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Perfumer & Flavorists Start search
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Literature & References

nonan-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:925-78-0
Pubchem (cid):61235
Pubchem (sid):135019014
Pherobase:View
Publications by PubMed
Characterization of aroma compounds of Chinese famous liquors by gas chromatography-mass spectrometry and flash GC electronic-nose.
7,7-[Ethane-1,2-diylbis(oxy)]-2-[hydroxy(phenyl)methyl]bicyclo[3.3.1]nonan-3-one.
Characterization of aroma compounds of Chinese famous liquors by gas chromatography-mass spectrometry and flash GC electronic-nose.
Volatile constituents of commercial imported and domestic black-ripe table olives (Olea europaea).
Cu/Nitroxyl Catalyzed Aerobic Oxidation of Primary Amines into Nitriles at Room Temperature.
Odour-active compounds in guava (Psidium guajava L. cv. Red Suprema).
Determination of the relative configuration of tropinone and granatanone aldols by using TBDMS ethers.
(1S*,5R*)-9-Phenyl-9-aza-bicyclo-[3.3.1]nonan-3-one.
Intramolecular [2+2] photocycloaddition reactions as an entry to the 2-oxatricyclo[4.2.1.0(4,9)]nonan-3-one skeleton of lactiflorin.
(1RS,2SR,5SR)-9-Benzyl-2-[(1RS)-1-hy-droxy-benz-yl]-9-aza-bicyclo-[3.3.1]nonan-3-one from synchrotron data.
Comparison of volatile components in Chinese traditional pickled peppers using HS-SPME-GC-MS, GC-O and multivariate analysis.
Isolation and characterization of 4-tert-butylphenol-utilizing Sphingobium fuliginis strains from Phragmites australis rhizosphere sediment.
(-)-(1S,5R)-2-Oxabicyclo-[3.3.1]nonan-3-one.
Widespread occurrence of estrogenic UV-filters in aquatic ecosystems in Switzerland.
Biparental endowment of endogenous defensive alkaloids in Epilachna paenulata.
Simultaneous trace determination of nine organic UV-absorbing compounds (UV filters) in environmental samples.
Templation of the excited-state chemistry of alpha-(n-alkyl) dibenzyl ketones: how guest packing within a nanoscale supramolecular capsule influences photochemistry.
Reactions of cyclopropanone acetals with alkyl azides: carbonyl addition versus ring-opening pathways.
A comparison of ionic liquids to molecular organic solvents as additives for chiral separations in micellar electrokinetic chromatography.
Iridoids from Crescentia alata.
Optical spectra of protected diamine 10-bond-bridged intervalence radical cations related to N,N,N'N'-tetraalkylbenzidine.
Comparative studies on enzyme preparations and role of cell components for (R)-phenylacetylcarbinol production in a two-phase biotransformation.
Chemical boundaries for detection of eye irritation in humans from homologous vapors.
Ergosterol elicits oxidative burst in tobacco cells via phospholipase A2 and protein kinase C signal pathway.
Synthesis of (4R,6S,7R)-7-hydroxy-4,6-dimethyl-3-nonanone and (3R,5S,6R)- 6-hydroxy-3,5-dimethyl-2-octanone, the pheromone components of the bostrychid beetle, Dinoderus bifoveolatus.
Endothelium-dependent hyperpolarization to acetylcholine in carotid artery of guinea pig: role of lipoxygenase.
Convenient Synthesis of N-Benzyl-1,4-dihydropyridines, Cyclohexenones, and Bicyclo[3.3.1]nonan-3-one Derivatives from 1-Aza-1,3-butadienes.
Hesperophylax occidentalis (Trichoptera: Limnephilidae): Electroantennogram structure-activity study of sex pheromone component 6-methylnonan-3-one.
Adenosine deaminase inhibitors: synthesis and structure-activity relationships of 2-hydroxy-3-nonyl derivatives of azoles.
New C26 delta-lactones from the Dufour's gland of the urticating ant Tetramorium aculeatum.
[Synthesis of radiosensitizers. Part VII. Synthesis of 3-bromo-4-chlorophenacyl alkylxanthates].
Antidopaminergic effects of the stereoisomers of N-[(1-alkyl-2- pyrrolidinyl)methyl]-5-sulfamoylbenzamides and -2,3-dihydrobenzofuran-7-carboxamides.
Stereocontrolled syntheses for the six diastereomeric 1,2-dihydroxy-4,5-diaminocyclohexanes: PtII complexes and P-388 antitumor properties.
Anticonvulsant evaluation of some 3-oxo and 3-thiosemicarbazono analogues of 1-aryl-1-ethylthio-nonanes and related compounds.
Reinvestigation of anhydroserricornin, (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran, as a sex pheromone component for male cigarette beetle.
Inhibitory action of (4S,6S,7R)-isomer to pheromonal activity of serricornin, (4S,6S,7S)-7-Hydroxy-4,6-dimethyl-3-nonanone.
Synthesis of no-carrier-added N-([18F]fluoroalkyl)spiperone derivatives.
Plasma protein changes in rats treated with hypolipidaemic drugs and with phthalate esters.
Experimental study on the enhancement of the neurotoxicity of methyl n-butyl ketone by non-neurotoxic aliphatic monoketones.

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):HMDB31267
FooDB:FDB003309
Export Tariff Code:2914.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 142.24165344238
Specific gravity @ 25 °C
Pounds per Gallon 6.798 to 6.848
Refractive Index 1.415 to 1.423 @ 20 °C
Boiling Point 187 to 188°C @ 760 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 0.551 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 67.78 °C TCC
logP (o/w) 3.015 est
Solubility
alcohol Yes
water, very slightly Yes
water, 396.1 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
fresh, sweet, jasmin, spicy, leafy, herbal, fruity
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 8 hour(s) at 100.00 %
Luebke, William tgsc, (1988) At 10.00 % in dipropylene glycol. fresh sweet jasmin spicy leaf herbal fruity
Flavor Type: Green
green, spicy, herbal, grassy, cilantro, leafy
Luebke, William tgsc, (1988) Green spicy herbal grassy cilantro leafy
Used primarily in cheese and dairy flavors. Green

Occurrences

Potential Uses

Applications
Odor purposes Green, Herbal, Jasmin, Spice
Flavoring purposes Cheese, Dairy
Other purposes Grass
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 3-nonanone usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (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: 8
Click here to view publication 8
average usual ppmaverage maximum ppm
baked goods: -20.00000
beverages(nonalcoholic): -20.00000
beverages(alcoholic): -20.00000
breakfast cereal: -20.00000
cheese: --
chewing gum: -20.00000
condiments / relishes: --
confectionery froastings: -20.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -20.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -20.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
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 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

Safety and efficacy of saturated and unsaturated aliphatic secondary alcohols, ketones and esters with esters containing secondary alcohols belonging to chemical group 5 when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):925-78-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61235
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
nonan-3-one
Chemidplus:0000925780