3-octanone

ethyl amyl ketone

CAS: 106-68-3 C8 H16 O MW: 128.21472000 herbal mushroom

Identification

Name3-octanone
IUPACoctan-3-one
CAS Number106-68-3
EINECS203-423-0
FDA UNII79173B4107
Molecular FormulaC8 H16 O
Molecular Weight128.21472000
MDL NumberMFCD00009515
Nikkaji NumberJ3.245J
Beilstein1700021
CoE Number2042

Regulatory

JECFA Food Flavoring290 3-octanone
DG SANTE Food Flavourings07.062 octan-3-one
FEMA Number2803
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)106-68-3 ; 3-OCTANONE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.81900 to 0.82400 @ 25.00 °C.
Pounds per Gallon - (est). 6.815 to 6.857
Refractive Index 1.41500 to 1.41700 @ 20.00 °C.
Melting Point -23.00 °C. @ 760.00 mm Hg
Boiling Point 167.00 to 170.00 °C. @ 760.00 mm Hg
Acid Value 3.00 max. KOH/g
Vapor Pressure 1.504000 mmHg @ 25.00 °C. (est)
Flash Point 115.00 °F. TCC ( 46.11 °C. )
logP (o/w) 2.506 (est)
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium ,
Substantivity > 4 hour(s) at 100.00 %
Odor Description
at 10.00 % in dipropylene glycol.
Musty, mushroom, ketonic, moldy and cheesy fermented with a green, vegetative nuance
Sweet, ripe banana
herbaceous-fruity; slightyly spicy, buttery; topnote of lavender
fresh herbal lavender sweet mushroom herbaceous-fruity slightly spicy buttery lavender
fresh herbal lavender sweet mushroom
Odor sample from Givaudan Corporation
Taste Description
mushroom, earthy
at 10.00 ppm.
Characteristic blue cheese, fermented
fatty, green, fruity, waxy, ketonic; mushroom, musty cheese notes
Nice fruity, cheesy, mushroom and fatty notes

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Human Experience2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 5000 mg/kg
Dermal Toxicityskin-rabbit LD50 > 16 mg/kg
Inhalation ToxicityNot determined

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 3-octanone usage levels up to2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)2.80 (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-

Alfrebro LLC/ Archer Daniels Midland Company

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Associate Allied Chemicals

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Our aim is to become a reliable one-stop shop for our customers.

View All Website +91 22 2419 8800 aacipl@aacipl.com

Bedoukian Research, Inc.

Perfecting the Art of Chemistry

Working closely with our customers to meet their requirements.

View All Website 1-203-830-4000 customerservice@bedoukian.com

Berje Inc.

Where the world comes to its senses

Where the world comes to its senses - Berjé is a global distributor of Essential Oils and Aromatic Chemicals.

View All Website 973-748-8980 tlauzurica@berjeinc.com

CJ Latta & Associates, LLC

Extensive Line

Aromatic Chemicals and Organic Acids.

View All Website (630) 240-8079 chiplatta@msn.com

Firmenich Inc.

We Create

We create perfumes and flavors for the World's most desirable brands.

View All Website +1 609 452 1000 Frederick.Keifer@firmenich.com

Global Essence Inc.

Preferred Partner

Accommodate each customers unique needs.

View All Website 001 732 677 1100 info@globalessenceuk.com

Indukern, S.A. F&F Ingredients Division

Commitment to quality

Idukern F&F Ingredients is your partner for the fragrance and flavor ingredients.

View All Website +34 93 506 91 00 info@indukern.es

Lluch Essence S.L.

A family company dedicated to sales and distribution

Flexibility, availability, price and quality.

View All Website 34 93 379 38 49 web@lluche.com

Moellhausen S.P.A.

THE CHEMISTRY OF EMOTIONS

Innovation and commitment in the name of excellence.

View All Website +39 039.685.6262

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

View All Website (973) 740-2300 lisaa@pentamfg.com

PerfumersWorld Ltd.

feeeel... the smell!

The one-stop resource for the creative perfumer.

View All Website +66(0)2-99-800-80 pwenquiries@perfumersworld.com

Prodasynth

PRODUCTEUR PAR ESSENCE

Chemical specialist in manufacturing, distributing and sourcing of tailor-made ingredients for the Flavour & Fragrance industry.

View All Website (33) 4 93 09 00 11 info@prodasynth.com

Sigma-Aldrich

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View All Website 800-244-1173 ff@sial.com

Synerzine, Inc.

Innovation. Customization. Aroma Ingredients.

Synerzine is a leading supplier of flavor and fragrance ingredients.

View All Website (404) 524-6744 info@synerzine.com

TCI AMERICA

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We continuously strive to advance our technology.

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R C Treatt and Co Ltd

Innovative ingredient solutions

World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.

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Ernesto Ventós S.A.

Leaders in essence

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Vigon International

Passion for Simplicity

Manufacturer and supplier of high quality flavor and fragrance ingredients.

View All Website 570-476-6300 sales@vigon.com

Potential Uses

FR apricot FR banana FR blueberry FR carnation FL cheese blue cheese cheese italian cheese FR chypre FR civet FR fern FR fungus FR herbal FR lavender FR peach FR pineapple

Natural Occurrence

banana fruit basil leaf bay leaf oil @ 0.00-1.10% Data bay leaf oil clove @ 1.0% Data bergamot plant wild blueberry fruit champaca concrete @ 0.01% Data cornmint leaf hyssop shoot lavandin oil abrialis @ 0.14% Data lavandin oil grosso @ 0.04% Data lavandin water (lavandula hydrida) @ 0.08% Data lavender lavender oil spike france @ 0.05% Data lavender spike water @ 0.05% Data lavender water bulgaria @ 0.68% Data lemon balm shoot melissa oil slovak republic @ 0.12% Data mushroom giant puffball mushroom PMC mushroom shiitake mushroom PMC mushroom shiitake mushroom fruit PMC orthodon dianthera maxim. oil vietnam @ 0.10% Data plum fruit rosemary leaf oil rosemary plant rugula herb soybean leaf spearmint oil spearmint oil america @ trace-0.07% Data thyme

Synonyms

amyl ethyl ketone N- amyl ethyl ketone ethyl amyl ketone ethyl N-amyl ketone ethyl N-pentyl ketone ethyl pentyl ketone ethylamylketone heptanone, methyl- ketone, ethyl pentyl oct-3-one octan-3-one 3-oxo octane 3- octanone N- octanone-3 US Patents: 3,952,024 - Furfurylthioacetone PubMed: Ruthenium Complexes with Dendritic Ferrocenyl Phosphanes: Synthesis, Characterization, and Application in the Catalytic Redox Isomerization of Allylic Alcohols. US Patents: Certain 2,5-dimethyl-3-thiopyrazines PubMed: Gas Chromatography-Mass Spectrometry Method Optimized Using Response Surface Modeling for the Quantitation of Fungal Off-Flavors in Grapes and Wine. PubMed: Attraction of Callosobruchus maculatus (F.) (Coleoptera: Bruchidae) to four varieties of Lathyrus sativus L. seed volatiles. PubMed: 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. PubMed: Chemical composition and aroma evaluation of volatile oils from edible mushrooms (Pleurotus salmoneostramineus and Pleurotus sajor-caju). PubMed: Carbonyl reduction in the biosynthesis of a male sex pheromone secreted by the grape borer Xylotrechus pyrrhoderus. PubMed: HS/GC-MS analyzed chemical composition of the aroma of fruiting bodies of two species of genus Lentinus (Higher Basidiomycetes). PubMed: Studies on volatile organic compounds of some truffles and false truffles. PubMed: Transport of hop aroma compounds across Caco-2 monolayers. PubMed: The volatome of Aspergillus fumigatus. PubMed: Identification of volatile biomarkers of gastric cancer cells and ultrasensitive electrochemical detection based on sensing interface of Au-Ag alloy coated MWCNTs. PubMed: Identification of volatile markers in potato brown rot and ring rot by combined GC-MS and PTR-MS techniques: study on in vitro and in vivo samples. PubMed: Assessing the chemotaxis behavior of Physarum polycephalum to a range of simple volatile organic chemicals. PubMed: Evaluation of volatile metabolites as markers in Lycopersicon esculentum L. cultivars discrimination by multivariate analysis of headspace solid phase microextraction and mass spectrometry data. PubMed: Release and uptake of volatile organic compounds by human hepatocellular carcinoma cells (HepG2) in vitro. PubMed: Potential aromatic compounds as markers to differentiate between Tuber melanosporum and Tuber indicum truffles. PubMed: Furry pet allergens, fungal DNA and microbial volatile organic compounds (MVOCs) in the commercial aircraft cabin environment. PubMed: Can volatile organic metabolites be used to simultaneously assess microbial and mite contamination level in cereal grains and coffee beans? PubMed: Multiple headspace-solid-phase microextraction: an application to quantification of mushroom volatiles. PubMed: The Paleobiosphere: a novel device for the in vivo testing of hydrocarbon producing-utilizing microorganisms. PubMed: Formation yields of C8 1,4-hydroxycarbonyls from OH + n-octane in the presence of NO. PubMed: [Analyze on volatile compounds of Antrodia camphorata using HS-SPME-GC-MS]. PubMed: Influence of various growth parameters on fungal growth and volatile metabolite production by indoor molds. PubMed: Olfactory cues from plants infected by powdery mildew guide foraging by a mycophagous ladybird beetle. PubMed: Detection of characteristic metabolites of Aspergillus fumigatus and Candida species using ion mobility spectrometry-metabolic profiling by volatile organic compounds. PubMed: 8-Carbon oxylipins inhibit germination and growth, and stimulate aerial conidiation in Aspergillus nidulans. PubMed: Different molecular types of Pseudomonas fragi have the same overall behaviour as meat spoilers. PubMed: Golgi-modifying properties of macfarlandin E and the synthesis and evaluation of its 2,7-dioxabicyclo[3.2.1]octan-3-one core. PubMed: Volatile organic components from fresh non-edible Basidiomycetes fungi. PubMed: Olfactory response of Haematobia irritans (Diptera: Muscidae) to cattle-derived volatile compounds. PubMed: Synthesis of the deuterated sex pheromone components of the grape borer, Xylotrechus pyrrhoderus. PubMed: Influence of sporophore development, damage, storage, and tissue specificity on the enzymic formation of volatiles in mushrooms (Agaricus bisporus). PubMed: Antimicrobial activities of components of the glandular secretions of leaf cutting ants of the genus Atta. PubMed: Use of headspace SPME-GC-MS for the analysis of the volatiles produced by indoor molds grown on different substrates. PubMed: A GC-MS study of the volatile organic composition of straw and oyster mushrooms during maturity and its relation to antioxidant activity. PubMed: Induction of conidiation by endogenous volatile compounds in Trichoderma spp. PubMed: The cytotoxic properties and preferential toxicity to tumour cells displayed by some 2,4-bis(benzylidene)-8-methyl-8-azabicyclo[3.2.1] octan-3-ones and 3,5-bis(benzylidene)-1-methyl-4-piperidones. PubMed: Correlation between the pattern volatiles and the overall aroma of wild edible mushrooms. PubMed: Host recognition by the specialist hoverfly Microdon mutabilis, a social parasite of the ant Formica lemani. PubMed: Genetic diversity of volatile components in Xinjiang Wild Apple (Malus sieversii). PubMed: Indoor molds, bacteria, microbial volatile organic compounds and plasticizers in schools--associations with asthma and respiratory symptoms in pupils. PubMed: Differentiation of aroma characteristics of pine-mushrooms (Tricholoma matsutake Sing.) of different grades using gas chromatography-olfactometry and sensory analysis. PubMed: Asymmetric induction in hydrogen-mediated reductive aldol additions to alpha-amino aldehydes catalyzed by rhodium: selective formation of syn-stereotriads directed by intramolecular hydrogen-bonding. PubMed: Characterization of aroma-active compounds in raw and cooked pine-mushrooms (Tricholoma matsutake Sing.). PubMed: Production of volatile compounds by Rhizopus oligosporus during soybean and barley tempeh fermentation. PubMed: Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades. PubMed: Oviposition in Delia platura (Diptera, Anthomyiidae): the role of volatile and contact cues of bean. PubMed: [GC-MS analysis of volatile oil from the ear of Schizonepeta tenifolia Briq]. PubMed: Identification of components of male-produced pheromone of coffee white stemborer, Xylotrechus quadripes. PubMed: Behavioral monitoring of trained insects for chemical detection. PubMed: Volatile organic compounds in natural biofilm in polyethylene pipes supplied with lake water and treated water from the distribution network. PubMed: 1,4-hydroxycarbonyl products of the OH radical initiated reactions of C5-C8 n-alkanes in the presence of NO. PubMed: Main compounds responsible for off-odour of strawberries infected by Phytophthora cactorum. PubMed: Volatile compounds of Aspergillus strains with different abilities to produce ochratoxin A. PubMed: Air-water transfer of MTBE, its degradation products, and alternative fuel oxygenates: the role of temperature. PubMed: Volatile organic compound (VOC) analysis and sources of limonene, cyclohexanone and straight chain aldehydes in axenic cultures of Calothrix and Plectonema. PubMed: Germination of penicillium paneum Conidia is regulated by 1-octen-3-ol, a volatile self-inhibitor. PubMed: Volatiles from whitefly-infested plants elicit a host-locating response in the parasitoid, Encarsia formosa. PubMed: Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction. PubMed: Field evaluation of potential of alarm pheromone compounds to enhance baits for control of grass-cutting ants (Hymenoptera: Formicidae). PubMed: Impact odorants contributing to the fungus type aroma from grape berries contaminated by powdery mildew (Uncinula necator); incidence of enzymatic activities of the yeast Saccharomyces cerevisiae. PubMed: Determination of unique microbial volatile organic compounds produced by five Aspergillus species commonly found in problem buildings. PubMed: In vivo volatile emissions from peanut plants induced by simultaneous fungal infection and insect damage. PubMed: Detection and quantification of ochratoxin A and deoxynivalenol in barley grains by GC-MS and electronic nose. PubMed: A common inhibitory binding site for zinc and odorants at the voltage-gated K(+) channel of rat olfactory receptor neurons. PubMed: A new passive sampler for regulated workplace ketones. PubMed: Regulated workplace ketones and their interference in the PFBHA method for aldehydes. PubMed: Volatiles for mycological quality grading of barley grains: determinations using gas chromatography-mass spectrometry and electronic nose. PubMed: [MVOC of fungi--use as an indicator for exposure level]. PubMed: Sensory irritating potency of some microbial volatile organic compounds (MVOCs) and a mixture of five MVOCs. PubMed: Fungal volatiles as indicators of food and feeds spoilage. PubMed: Odor detection in rats with 3-methylindole-induced reduction of sensory input. PubMed: Purification and characterization of two enone reductases from Saccharomyces cerevisiae. PubMed: Spatially organized response zones in rat olfactory epithelium. PubMed: Volatile organic chemicals of a shore-dwelling cyanobacterial mat community. PubMed: Fungal volatiles: Semiochemicals for stored-product beetles (Coleoptera: Cucujidae). PubMed: Chemotaxonomic study of undescribed species ofMyrmica ant from Idaho. PubMed: Induction of chromosome loss by mixtures of organic solvents including neurotoxins. PubMed: Odor volatiles associated with microflora in damp ventilated and non-ventilated bin-stored bulk wheat. PubMed: Saw-toothed grain beetleOryzaephilus surinamensis (L.) (Coleoptera: Silvanidae) : Collection, identification, and bioassay of attractive volatiles from beetles and oats. PubMed: Fungal volatiles associated with moldy grain in ventilated and non-ventilated bin-stored wheat. PubMed: Sensitivity to sunscreens. PubMed: The size of mitral cells is altered when rats are exposed to an odor from their day of birth. PubMed: Electroantennogram responses of grape borerXylotrechus pyrrhoderus bates (Coleoptera: Cerambycidae) to its male sex pheromone components. PubMed: Experimental study on the enhancement of the neurotoxicity of methyl n-butyl ketone by non-neurotoxic aliphatic monoketones. PubMed: Volatile constituents of Trichothecium roseum. PubMed: Sensitivity to isopropyl alcohol. PubMed: Studies on mushroom flavours 2. Flavour compounds in coprinus comatus. PubMed: Identification, role and systematic significance of 3-octanone in the carpenter ant, Camponotus schaefferi WHR. PubMed: Volatile Flavor Compounds Produced by Molds of Aspergillus, Penicillium, and Fungi imperfecti. PubMed: Identification of the predominant volatile compounds produced by Aspergillus flavus. PubMed: [Colorimetric determination of 3-octanone using 3, 5-dinitrobenzoic acid].