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

3-octen-2-one
1-hexenyl methyl ketone

Sponsors

Name:oct-3-en-2-one
CAS Number: 1669-44-9Picture of molecule3D/inchi
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
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-OCTEN-2-ONE
 
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)
Soluble in:
 alcohol
 water, 1045 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: earthy
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity: > 4 hour(s) at 100.00 %
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)
Odor sample from: Bedoukian Research, Inc.
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)
Flavor Type: creamy
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)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
3-OCTEN-2-ONE ≥96.0%, Kosher
Odor Description:An earthy, spicy, herbal, sweet, blueberry note
Used for earthy notes in fragrances.
Taste Description: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.
 
Cosmetic Information:
None found
 
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.
Beijing Lys Chemicals
3-Octen-2-one
BOC Sciences
For experimental / research use only.
3-OCTEN-2-ONE 96.0%
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)
 
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
 
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
 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: --
 
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
 
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
 
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
FooDB:FDB011611
Export Tariff Code:2914.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
arnica montana flower extract
FL/FR
aldehydic
aldehydic
agrumen nitrile
FR
anise
sweet
fennel seed oil
FL/FR
balsamic
iso
bornyl isobutyrate
FL/FR
cheesy
2-
heptanone
FL/FR
earthy
3-
octanol
FL/FR
1-
octen-3-one
FL/FR
fatty
perillaldehyde propylene glycol acetal
FL/FR
floral
iso
amyl geranate
FR
cassie absolute replacer
FL/FR
6,8-
dimethyl-2-nonanol
FR
herbal pyran
FR
(Z)-
jasmone
FL/FR
(Z)-
rose oxide
FL/FR
terpinyl isobutyrate
FL/FR
ylang ylang flower oil III
FL/FR
fruity
1,4-
diethyl-6,8-dioxabicyclo(3.2.1)octane
FR
green acetate
FR
herbanate (Givaudan)
FR
phenoxyethyl propionate
FL/FR
fungal
1-
decen-3-ol
FL/FR
green
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
privet dioxane
FR
herbal
agate fragrance
FR
carrot seed oil (daucus carota ssp. maximus (desf.) ball)
FR
carum carvi fruit oil
FL/FR
carvacryl methyl ether
FL/FR
celery ketone
FL/FR
coriander seed concrete
FR
dehydroxylinalool oxide
FL/FR
elder flower absolute (sambucus canadensis and s. nigra)
FR
herbal acetal
FR
lavender absolute bulgaria
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
T-
muurolol
FL/FR
3-
nonanol
FL/FR
3-
octanon-1-ol
FL/FR
curled
parsley leaf oil
FL/FR
honey
phenethyl furoate
FL/FR
minty
betula lenta bark oil america
FL/FR
mossy
oakmoss phenol
FR
mushroom
(R)-1-
octen-3-ol
FL/FR
spicy
carrot weed oil
FL/FR
carvacryl ethyl ether
FL/FR
beta-
caryophyllene alcohol
FL/FR
alpha-
caryophyllene alcohol
FL/FR
(-)-
cubenol
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
ginger oleoresin
FL/FR
ginger root absolute
FL/FR
hollyberry fragrance
FR
ocimum gratissimum herb oil india
FR
origanum majorana oil
FL/FR
origanum majorana oil CO2 extract
FL/FR
outdoors specialty
FR
white
pepper oil
FL/FR
black
pepper oil CO2 extract
FL/FR
black
pepper oleoresin
FL/FR
saffron oil CO2 extract
FL/FR
waxy
methyl laurate
FL/FR
octyl isobutyrate
FL/FR
woody
cedarwood oil himalaya
FR
cistus twig/leaf oil
FL/FR
patchouli absolute
FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
(±)-
tetrahydronootkatone
FL/FR
For Flavor
No flavor group found for these
arnica montana flower extract
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
carvacryl ethyl ether
FL/FR
carvacryl methyl ether
FL/FR
beta-
caryophyllene alcohol
FL/FR
alpha-
caryophyllene alcohol
FL/FR
cassie absolute replacer
FL/FR
cistus twig/leaf oil
FL/FR
(±)-(cis+trans)-1,2-
dihydroperillaldehyde
FL
fleabane oil (erigeron canadensis)
FL
2-
heptyl cyclopropane carboxylic acid
FL
T-
muurolol
FL/FR
3-
nonanol
FL/FR
3-
octanon-1-ol
FL/FR
(E)-2-
penten-1-ol
FL
2-
pentyl-1-buten-3-one
FL
perillaldehyde propylene glycol acetal
FL/FR
phenethyl furoate
FL/FR
terpinyl isobutyrate
FL/FR
(±)-
tetrahydronootkatone
FL/FR
hexyl 3-mercaptobutanoate
FL
anise
anise
sweet
fennel seed oil
FL/FR
balsamic
iso
bornyl isobutyrate
FL/FR
buttery
bovolide
FL
cheesy
2-
heptanone
FL/FR
creamy
octyl isobutyrate
FL/FR
earthy
1-
decen-3-ol
FL/FR
1-
octen-3-one
FL/FR
fatty
dimethyl sulfoxide
FL
floral
ylang ylang flower oil III
FL/FR
fruity
1-para-
menthen-9-yl acetate
FL/FR
green
carrot weed oil
FL/FR
celery ketone
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
(Z)-
rose oxide
FL/FR
herbal
carum carvi fruit oil
FL/FR
lavender absolute bulgaria
FL/FR
origanum majorana oil
FL/FR
origanum majorana oil CO2 extract
FL/FR
curled
parsley leaf oil
FL/FR
minty
betula lenta bark oil america
FL/FR
mushroom
(R)-1-
octen-3-ol
FL/FR
musty
3-
octanol
FL/FR
spicy
sweet
bay oleoresin
FL
(-)-
cubenol
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
ginger oleoresin
FL/FR
ginger root absolute
FL/FR
white
pepper oil
FL/FR
black
pepper oil CO2 extract
FL/FR
black
pepper oleoresin
FL/FR
saffron oil CO2 extract
FL/FR
sulfurous
2-
naphthyl mercaptan
FL
waxy
methyl laurate
FL/FR
phenoxyethyl propionate
FL/FR
woody
dehydroxylinalool oxide
FL/FR
(Z)-
jasmone
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
 
Potential Uses:
FRbanana
FRblueberry
FRbutter
FRcream
FRearth
FRfungus
FLnut
FLpotato
FRstrawberry
 
Occurrence (nature, food, other):note
 asparagus
Search Trop Picture
 chicken fat
Search PMC Picture
 chicken heated chicken
Search PMC Picture
 coffee
Search PMC Picture
 coriander seed
Search Trop Picture
 fenugreek
Search Trop Picture
 filbert roasted filbert
Search Trop Picture
 fish
Search PMC Picture
 mushroom porcini mushroom
Search PMC Picture
 potato baked potato
Search Trop Picture
 potato fried potato
Search Trop Picture
 rice cooked rice
Search PMC Picture
 wine white wine
Search Picture
 
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
 

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.
 
Notes:
Vanilla volatile, mushroom flavour component of Boletus edulis (porcini). Also present in asparagus, baked or French fried potato, raw lean fish, chicken fat, white wine, roasted filbert, coriander seed and rice. Flavouring ingredient
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