3-octen-2-one
1-hexenyl methyl ketone
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
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      Product(s):
      611 3-OCTEN-2-ONE ≥96.0%, Kosher
      SDS
      Used for earthy notes in fragrances.
      Can be used for a variety of flavors, especially fermented notes for blue cheese, oily notes for sweet nuts such as hazelnut, brazil nut, and coconut.
       
      6111 3-OCTEN-2-ONE, NO ANTIOXIDANT ≥96.0%, Special Order
      SDS
      Used for earthy notes in fragrances.
      Can be used for a variety of flavors, especially fermented notes for blue cheese, oily notes for sweet nuts such as hazelnut, brazil nut, and coconut.
       
       
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
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      Product(s):
      W1529 3-octen-2-one
       
  • Liaison Carbone
    • Liaison Carbone
      Unusual Raw Materials
      Expanding the pallet of avid amateur-perfumers.
      This website is the result of my own attempts at getting hold of aroma chemicals that were hard to come by. At least in the amounts required by hobbyists. My goal is to offer an ever-changing portfolio of fairly unusual raw materials in order to continuously expand the pallet of avid amateur-perfumers.
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      Product(s):
      3-OCTEN-2-ONE
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
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      Product(s):
      15-22000 3-OCTEN-2-ONE, Kosher
       
 
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oct-3-en-2-one (Click)
CAS Number: 1669-44-9
ECHA EINECS - REACH Pre-Reg: 216-793-3
FDA UNII: M26AH283XV
MDL: MFCD00015565
CoE Number: 11170
XlogP3-AA: 2.30 (est)
Molecular Weight: 126.19878000
Formula: C8 H14 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: At least 94%; secondary component 4-6% 4-octen-2-one. (EFSA)
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
IBM Patents: Obtain
Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1128  3-octen-2-one
Flavis Number: 07.107 (Old)
DG SANTE Food Flavourings: 07.107  oct-3-en-2-one
FEMA Number: 3416  3-octen-2-one
FDA Mainterm: 3-OCTEN-2-ONE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 94.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 100.00 °C. @ 18.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure: 0.897000 mm/Hg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 130.00 °F. TCC ( 54.44 °C. )
logP (o/w): 2.179 (est)
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Organoleptic Properties:
Odor Type: earthy
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 earthy  spicy  herbal  sweet  mushroom  hay  blueberry  
Odor Description:
at 1.00 % in dipropylene glycol. 
earthy spicy herbal sweet mushroom hay blueberry
Luebke, William tgsc, (1997)
 earthy  oily  ketonic  sweet  hay  mushroom  
Odor Description:
Earthy, oily, ketonic, sweet, with hay and mushroom nuances
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
 creamy  earthy  oily  mushroom  
Taste Description:
at 5.00 ppm.  
Creamy, earthy, oily with mushroom nuances
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
Substantivity: 4 Hour(s)
  
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Cosmetic Information:
None found
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Suppliers:
Bedoukian Research
3-OCTEN-2-ONE, NO ANTIOXIDANT
≥96.0%, Special Order
Odor: An earthy, spicy, herbal, sweet, blueberry note
Use: Used for earthy notes in fragrances.
Flavor: Sweet, nutty, blue cheese, fermented
Can be used for a variety of flavors, especially fermented notes for blue cheese, oily notes for sweet nuts such as hazelnut, brazil nut, and coconut.
Bedoukian Research
3-OCTEN-2-ONE
≥96.0%, Kosher
Odor: An earthy, spicy, herbal, sweet, blueberry note
Use: Used for earthy notes in fragrances.
Flavor: Sweet, nutty, blue cheese, fermented
Can be used for a variety of flavors, especially fermented notes for blue cheese, oily notes for sweet nuts such as hazelnut, brazil nut, and coconut.
CTC Organics
3-octen-2-one
Liaison Carbone
3-OCTEN-2-ONE
Parchem
3-octen-2-one, No Antioxidant
Parchem
3-octen-2-one
Penta International
3-OCTEN-2-ONE, Kosher
Reincke & Fichtner
3-Octen-2-one
TCI AMERICA
For experimental / research use only.
3-Octen-2-one >96.0%(GC)
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3-octen-2-one usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.63 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day)
Structure Class: II
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: 7
Click here to view publication 7
 average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -0.50000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -2.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -0.50000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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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):
Scientific Opinion on Flavouring Group Evaluation 204 (FGE.204): Consideration of genotoxicity data on representatives for 18 mono-unsaturated, aliphatic, a,▀-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 1669-44-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 15475
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1224
WGK Germany: 3
 oct-3-en-2-one
Chemidplus: 0001669449
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References:
 oct-3-en-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1669-44-9
Pubchem (cid): 15475
Pubchem (sid): 134980872
Flavornet: 1669-44-9
Pherobase: View
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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
HMDB (The Human Metabolome Database): HMDB33547
Export Tariff Code: 2914.19.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
isoamyl geranateFR
alpha-caryophyllene alcoholFL/FR
1-decen-3-olFL/FR
 dimethyl sulfoxideFL
6,8-dimethyl-2-nonanolFR
 germacrene B 
 herbal pyranFR
 methyl laurateFL/FR
2-naphthyl mercaptanFL
 oakmoss phenolFR
(R)-1-octen-3-olFL/FR
 octyl isobutyrateFL/FR
 patchouli oilFL/FR
(E)-2-penten-1-olFL
2-pentyl-1-buten-3-oneFL
 phenethyl furoateFL/FR
 phenoxyethyl propionateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
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Potential Uses:
 bananaFR
 blueberryFR
 butterFR
 creamFR
 earth humusFR
 fungus mushroomFR
 nutFL
 potatoFL
 strawberryFR
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Natural Occurrence in: note
 chicken heated chicken
GRIN Trop Picture
 coffee
 filbert roasted filbert
 fenugreek
GRIN Trop Picture
 potato baked potato
 rice cooked rice
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Synonyms:
1-hexen-1-yl methyl ketone
1-hexenyl methyl ketone
 methyl hexenyl ketone
 oct-3-en-2-one
3-octen-2-one, no antioxidant
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Articles:
PubMed: Influence of storage on volatile profiles in roasted almonds (Prunus dulcis).
PubMed: Volatile fingerprint of Brazilian defective coffee seeds: corroboration of potential marker compounds and identification of new low quality indicators.
PubMed: Headspace volatile components of Canadian grown low-tannin faba bean (Vicia faba L.) genotypes.
PubMed: Toxicity and metabolism of exogenous ╬▒,╬▓-unsaturated carbonyls in potato (Solanum tuberosum L.) tubers.
PubMed: Formation of aldehyde and ketone compounds during production and storage of milk powder.
PubMed: Differences in the volatile compositions of ginseng species (Panax sp.).
PubMed: Influence of the salting time on volatile compounds during the manufacture of dry-cured pork shoulder "lac├│n".
PubMed: Lactic fermentation to improve the aroma of protein extracts of sweet lupin (Lupinus angustifolius).
PubMed: Analysis of human male armpit sweat after fenugreek ingestion: Characterisation of odour active compounds by gas chromatography coupled to mass spectrometry and olfactometry.
PubMed: Concise entry to both enantiomers of 8-oxabicyclo[3.2.1]oct-3-en-2-one based on novel oxidative etherification: formal synthesis of (+)-sundiversifolide.
PubMed: Diastereoselective construction of 7-methylenebicyclo[3.2.1]oct-3-en-2-one derivatives by palladium-catalyzed cyclization of propargylic acetates with 2-oxocyclohex-3-enecarboxylates.
PubMed: Volatile analysis of ground almonds contaminated with naturally occurring fungi.
PubMed: Scope and limitations of the photooxidations of 2-(╬▒-hydroxyalkyl)furans: synthesis of 2-hydroxy-exo-brevicomin.
PubMed: Catalytic asymmetric synthesis of the endo-6-aryl-8-oxabicyclo[3.2.1]oct-3-en-2-one natural product from Ligusticum chuanxing via 1,3-dipolar cycloaddition of a formyl-derived carbonyl ylide using Rh2(S-TCPTTL)4.
PubMed: Recombination of diterpenoid structure units: synthesis of antitumor amides bearing functionalized bicyclo[3.2.1]octane ring.
PubMed: Flavor variability and flavor stability of U.S.-produced whole milk powder.
PubMed: Identification of hydroxycinnamic acid-maillard reaction products in low-moisture baking model systems.
PubMed: Organometallic enantiomeric scaffolding. A molybdenum-mediated intramolecular nucleophilic ketalization-demetalation cascade. Total synthesis of (+)-(1R,2S,5S,7R)-2-hydroxy-exo-brevicomin.
PubMed: Two new lactones and one new aryl-8-oxa-bicyclo[3,2,1]oct-3-en-2-one from Descurainia sophia.
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 alcohol
 water, 1045 mg/L @ 25 °C (est)
Insoluble in:
 water
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