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2-nonanone

Chemical Structure

General Material Information

Preferred name 2-nonanone
Trivial Name 2-Nonanone
Short Description methyl heptyl ketone
Formula C9 H18 O
CAS Number 821-55-6
FEMA Number 2785
Flavis Number 7.02
ECHA Number 212-480-0
FDA UNII ZE5K73YN2Z
Nikkaji Number J7.123D
Beilstein Number 1743645
MDL MFCD00009553
COE Number 154
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 292 2-nonanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 821-55-6 ; 2-NONANONE
Synonyms
  • heptyl methyl ketone
  • N- heptyl methyl ketone
  • ketone, heptyl methyl
  • methyl heptyl ketone
  • methyl heptyl ketone (2-nonanone), natural
  • methyl heptyl ketone natural
  • nonan-2-one
  • 2-nonanone
  • beta- nonanone
  • 2-nonanone (methyl heptyl ketone) natural
  • 2-nonanone (natural)
  • 2-nonanone natural
  • Methyl n-heptyl ketone
  • NSC 14760

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

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Literature & References

nonan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:821-55-6
Pubchem (cid):13187
Pubchem (sid):134977765
Flavornet:821-55-6
Pherobase:View
Publications by Info
HEPTAN-2-ONE
Publications by US Patents
3,952,024 - Furfurylthioacetone
3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
Publications by PubMed
Synthesis of methyl ketones by metabolically engineered Escherichia coli.
Quantification of volatile compounds in goat milk Jack cheese using static headspace gas chromatography.
Binding of flavor compounds and whey protein isolate as affected by heat and high pressure treatments.
Kinetic analysis of volatile formation in milk subjected to pressure-assisted thermal treatments.
Binding of 2-nonanone and milk proteins in aqueous model systems.
Quantitative determination of thermally derived off-flavor compounds in milk using solid-phase microextraction and gas chromatography.
Flavor production from a non-stick oil by moulds.
Interactions between methyl ketones and beta-lactoglobulin: sensory analysis, headspace analysis, and mathematical modeling.
A customized metal oxide semiconductor-based gas sensor array for onion quality evaluation: system development and characterization.
The dynamics of the HS/SPME-GC/MS as a tool to assess the spoilage of minced beef stored under different packaging and temperature conditions.
Influence of storage on volatile profiles in roasted almonds (Prunus dulcis).
Quantitative analysis of volatile organic compounds released and consumed by rat L6 skeletal muscle cells in vitro.
Characterization of volatiles of necrotic Stenocereus thurberi and Opuntia littoralis and toxicity and olfactory preference of Drosophila melanogster, D. mojavensis wrigleyi, and D. mojavensis sonorensis to necrotic cactus volatiles.
Determination of volatile compounds in turbot (Psetta maxima) during refrigerated storage by headspace solid-phase microextraction and gas chromatography-mass spectrometry.
Investigation of volatile metabolites during growth of Escherichia coli and Pseudomonas aeruginosa by needle trap-GC-MS.
Assessment of robustness on analysis using headspace solid-phase microextraction and comprehensive two-dimensional gas chromatography through experimental designs.
Analysis of volatile organic compounds liberated and metabolised by human umbilical vein endothelial cells (HUVEC) in vitro.
Inhibitory and toxic effects of volatiles emitted by strains of Pseudomonas and Serratia on growth and survival of selected microorganisms, Caenorhabditis elegans, and Drosophila melanogaster.
Characterization of important odorants in steamed male Chinese mitten crab (Eriocheir sinensis) using gas chromatography-mass spectrometry-olfactometry.
Biting deterrence, repellency, and larvicidal activity of Ruta chalepensis (Sapindales: Rutaceae) essential oil and its major individual constituents against mosquitoes.
Assessing the efficacy of candidate mosquito repellents against the background of an attractive source that mimics a human host.
Monodimensional (GC-FID and GC-MS) and comprehensive two-dimensional gas chromatography for the assessment of volatiles and fatty acids from Ruta chalepensis aerial parts.
Olfactory sensitivity and odor structure-activity relationships for aliphatic ketones in CD-1 mice.
Volatile composition and sensory properties of Indian herbal medicine-Pavonia odorata-used in Ayurveda.
Interactions of flavoured oil in-water emulsions with polylactide.
Widespread occurrence of bisphenol A diglycidyl ethers, p-hydroxybenzoic acid esters (parabens), benzophenone type-UV filters, triclosan, and triclocarban in human urine from Athens, Greece.
Main individual and product characteristics influencing in-mouth flavour release during eating masticated food products with different textures: mechanistic modelling and experimental validation.
Nuclear PKG localization is regulated by G₀ alpha and is necessary in the AWB neurons to mediate avoidance in Caenorhabditis elegans.
Release and uptake of volatile organic compounds by human hepatocellular carcinoma cells (HepG2) in vitro.
Dissociation of proton bound ketone dimers in asymmetric electric fields with differential mobility spectrometry and in uniform electric fields with linear ion mobility spectrometry.
Can volatile organic metabolites be used to simultaneously assess microbial and mite contamination level in cereal grains and coffee beans?
Sensory interaction between attractant diacetyl and repellent 2-nonanone in the nematode Caenorhabditis elegans.
Mass and Ion Transport in Ketones and Ketone Electrolytes: Comparison with Acetate Systems.
Effect of storage time and heat processing on the volatile profile of Senegalese sole (Solea senegalensis Kaup, 1858) muscle.
Attractiveness of an aggregation pheromone lure and chicken droppings to adults and larvae of Alphitobius diaperinus (Coleoptera: Tenebrionidae).
Salt reduction in slow fermented sausages affects the generation of aroma active compounds.
Following butter flavour deterioration with an acoustic wave sensor.
Synthesis of methyl ketones by metabolically engineered Escherichia coli.
Molecular analysis of volatile metabolites released specifically by Staphylococcus aureus and Pseudomonas aeruginosa.
Effects of frozen storage and vacuum packaging on free fatty acid and volatile composition of Turkish Motal cheese.
Measuring gas-liquid partition coefficients of aroma compounds by solid phase microextraction, sampling either headspace or liquid.
Volatile biomarkers of Pseudomonas aeruginosa in cystic fibrosis and noncystic fibrosis bronchiectasis.
Control of postharvest Botrytis fruit rot of strawberry by volatile organic compounds of Candida intermedia.
Enhancement of odor avoidance regulated by dopamine signaling in Caenorhabditis elegans.
Novel platinum(II) complexes of 3-(aminomethyl)naphthoquinone Mannich bases: synthesis, crystal structure and cytotoxic activities.
Isolation and characterization of 4-tert-butylphenol-utilizing Sphingobium fuliginis strains from Phragmites australis rhizosphere sediment.
Transmembrane segment 3 of Drosophila melanogaster odorant receptor subunit 85b contributes to ligand-receptor interactions.
Quantification of volatile compounds in goat milk Jack cheese using static headspace gas chromatography.
Olfactory psychometric functions for homologous 2-ketones.
Male-produced aggregation pheromone of the lesser mealworm beetle, Alphitobius diaperinus.
Mesophilic and psychrotrophic bacteria from meat and their spoilage potential in vitro and in beef.
Binding of flavor compounds and whey protein isolate as affected by heat and high pressure treatments.
Multi-channel open tubular traps for headspace sampling, gas chromatographic fraction collection and olfactory assessment of milk volatiles.
Interactions between beta-lactoglobulin and aroma compounds: different binding behaviors as a function of ligand structure.
Relationship between sensory attributes and volatile compounds qualifying dry-cured hams.
Asthma arising in flavoring-exposed food production workers.
Chemical characterization of territorial marking fluid of male Bengal tiger, Panthera tigris.
Kinetic analysis of volatile formation in milk subjected to pressure-assisted thermal treatments.
Binding of 2-nonanone and milk proteins in aqueous model systems.
Active package for wild strawberry fruit (Fragaria vesca L.).
Effect of concentration and relative humidity on the transfer of alkan-2-ones through paper coated with wheat gluten.
Quantitative determination of thermally derived off-flavor compounds in milk using solid-phase microextraction and gas chromatography.
Assessment of monitoring methods for early detection of three species of storage mite in bulk oilseed rape.
Volatile organic compounds in natural biofilm in polyethylene pipes supplied with lake water and treated water from the distribution network.
Characterization of respiratory exposures at a microwave popcorn plant with cases of bronchiolitis obliterans.
The metabolism of nonane, a JP-8 jet fuel component, by human liver microsomes, P450 isoforms and alcohol dehydrogenase and inhibition of human P450 isoforms by JP-8.
Expeditious asymmetric synthesis of a stereoheptad corresponding to the C(19)-C(27)-ansa chain of rifamycins: formal total synthesis of Rifamycin S.
Evidence for pi-pi electron donor-acceptor interactions between pi-donor aromatic compounds and pi-acceptor sites in soil organic matter through pH effects on sorption.
Olfactory sensitivity for aliphatic ketones in squirrel monkeys and pigtail macaques.
Volatiles in a sausage surface model-influence of Penicillium nalgiovense, Pediococcus pentosaceus, ascorbate, nitrate and temperature.
Analysis of ketones by selected ion flow tube mass spectrometry.
Odorants in breast milk.
Otx/otd homeobox genes specify distinct sensory neuron identities in C. elegans.
Chemistry, ontogeny, and role of pygidial gland secretions of the vinegaroon Mastigoproctus giganteus (Arachnida: Uropygi).
Influence of lipophilicity on the interactions of N-alkyl-4-phenyl-1,2,3,6-tetrahydropyridines and their positively charged N-alkyl-4-phenylpyridinium metabolites with cytochrome P450 2D6.
Necrosis of nasal and airway epithelium in rats inhaling vapors of artificial butter flavoring.
In vitro efficacy of plant volatiles for inhibiting the growth of fruit and vegetable decay microorganisms.
Resistance to 2-tridecanone in Tetranychus urticae: effects of induced resistance, cross-resistance and heritability.
Rhodium carboxylate catalyzed decomposition of vinyldiazoacetates in the presence of heterodienes: enantioselective synthesis of the 6-azabicyclo[3.2.2]nonane and 6-azabicyclo[3.2.2]nonanone ring systems.
Chemosignalling of musth by individual wild African elephants (Loxodonta africana): implications for conservation and management.
Flavor production from a non-stick oil by moulds.
Effect of meso-substituents on the osmium tetraoxide reaction and pinacol-pinacolone rearrangement of the corresponding vic-dihydroxyporphyrins.
Volatile compounds released during ripening in Italian dried sausage.
Volatile sulfur production by pig cecal bacteria in batch culture and screening inhibitors of sulfate reducing bacteria.
Interactions between methyl ketones and beta-lactoglobulin: sensory analysis, headspace analysis, and mathematical modeling.
High-resolution gas-chromatographic analysis of the secondary metabolites obtained by subcritical-fluid extraction from Colombian rue (Ruta graveolens L.).
Odour-impact compounds of Gorgonzola cheese.
A transmembrane guanylyl cyclase (DAF-11) and Hsp90 (DAF-21) regulate a common set of chemosensory behaviors in caenorhabditis elegans.
Volatile compounds from Escherichia coli O157:H7 and their absorption by strawberry fruit.
Transfer of aroma compounds in water-lipid systems: binding tendency of beta-lactoglobulin.
Interactions between aroma and edible films. 1. Permeability Of methylcellulose and low-density polyethylene films to methyl ketones.
Reptilian chemistry: characterization of dianeackerone, a secretory product from a crocodile.
Reprogramming chemotaxis responses: sensory neurons define olfactory preferences in C. elegans.
Relative sensitivity of the ocular trigeminal, nasal trigeminal and olfactory systems to airborne chemicals.
Volatile organic chemicals of a shore-dwelling cyanobacterial mat community.
Leukotriene B4 receptor antagonists: the LY255283 series of hydroxyacetophenones.
Effects of several selected odorants on the sodium- and potassium-dependent adenosine triphosphatase activities of two different chicken olfactory tuberinals.
Chemical analysis of temporal gland secretions collected from an Asian bull elephant during a four-month musth episode.
Volatile methyl ketone seed-germination inhibitors fromAmaranthus palmeri S. Wats. Residues.
Observations concerning the nature of sites of anaesthetic action in Gammarus.
Volatiles of Pseudomonas aeruginosa and related species by automated headspace concentration--gas chromatography.
Anaesthetic action of esters and ketones: evidence for an interaction with the sodium channel protein in squid axons.
Odorous chemical perturbations of (Na+ + K+)-dependent ATPase activities. Effects on native and lipid-substituted preparations from individual turbinals from dog olfactory tissue.
Commercial-grade methyl heptyl ketone (5-methyl-2-octanone) neurotoxicity: contribution of 5-nonanone.
The neurotoxicity of 5-nonanone: preliminary report.
Headspace analysis of volatile metabolites of Pseudomonas aeruginosa and related species by gas chromatography-mass spectrometry.
Stabilization of proteins by solvents. Effect of pH and anions on the positive cooperativity of 2-nonanone binding to bovine serum albumin.
[Gas-chromatographic-mass-spectral analysis of aroma-compounds of bread (author's transl)].
A novel ketone monooxygenase from Pseudomonas cepacia. Purification and properties.

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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31266
FooDB:FDB003308
YMDB (Yeast Metabolome Database):YMDB01383
Export Tariff Code:2914.19.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 142.24165344238
Specific gravity @ 25 °C
Pounds per Gallon 6.798 to 6.848
Refractive Index 1.418 to 1.423 @ 20 °C
Boiling Point 194 to 196°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.645 mmHg @ 25 °C
Flash Point TCC Value 64.44 °C TCC
logP (o/w) 3.14
Solubility
alcohol Yes
dipropylene glycol Yes
water, 170.6 mg/L @ 25 °C (est) Yes
water, 371 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fresh, sweet, green, weedy, earthy, herbal, fruity, waxy, soapy, cheesy, coconut
Odor strength medium
Substantivity > 4 hour(s) at 100.00 %
General comment At 100.00 %. fresh sweet green weedy earthy herbal
Mosciano, Gerard P&F 16, No. 5, 71, (1991) Fruity, sweet, waxy, soapy, cheese, green herbaceous, coconut like
Flavor Type: Cheesy
fruity, cheesy, green, dairy, dirty, buttery
General comment Fruity, cheesy
Mosciano, Gerard P&F 16, No. 5, 71, (1991) At 20.00 ppm. Cheesy, green, fruity, dairy, dirty, buttery
Ketonic notes for a variety of cheese flavors. Fermented, generic cheese notes
2-NONANONE brings along with its typical cheesy profile, interesting green, weedy and herbal nuances which can be nicely used in cheese, butter, milk, meat, fish, nut and various fruit flavors. Typical blue cheese with mushroom nuances at higher dosage fatty and fruity nuances at lower dosage

Occurrences

Potential Uses

Applications
Odor purposes Ash mountain ash , Butter , Carnation , Clove , Coconut , Earth , Green , Herbal , Lavender , Pineapple , Rose , Rose tea rose , Rue , Strawberry
Flavoring purposes Cheese cheddar cheese , Fat , Rue
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and 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:
oral-rat LD50 3200 mg/kg
(RTECS, 1975)

oral-mouse LD50 [sex: M] 7992 mg/kg
(Tanii et al., 1986)

oral-mouse LD50 7994 mg/kg
Toxicology Letters. Vol. 30, Pg. 13, 1986.

oral-rat LD50 3200 mg/kg
Kodak Company Reports. Vol. 21MAY1971

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 393, 1988.

Inhalation Toxicity:
inhalation-rat LC50 > 3980 mg/m3/6H
Kodak Company Reports. Vol. 21MAY1971

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 2-nonanone usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 320.00 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: 0.400004.00000
beverages(nonalcoholic): -0.55000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100001.00000
fruit ices: 0.100001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.400004.00000
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: --

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):821-55-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13187
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
nonan-2-one
Chemidplus:0000821556
EPA/NOAA CAMEO:hazardous materials
RTECS:RA8225000 for cas# 821-55-6