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

1,5-octadien-3-one
octa-1,5-dien-3-one

Supplier Sponsors

CAS Number: 65213-86-7Picture of molecule3D/inchi
XlogP3-AA:1.90 (est)
Molecular Weight:124.18284000
Formula:C8 H12 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Mixture of E/Z stereoisomers: 60-90 % (E) (EFFA, 2012c).
Category:flavoring 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
JECFA Food Flavoring:1848 (E)-1,5-octadien-3-one
FLAVIS Number:07.190 (Old)
DG SANTE Food Flavourings:07.190 octa-1,5-dien-3-one
FEMA Number:4405 1,5-octadien-3-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):65213-86-7 ; 1,5-OCTADIEN-3-ONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.82300 to 0.82900 @ 25.00 °C.
Pounds per Gallon - (est).: 6.848 to 6.898
Refractive Index:1.43800 to 1.44400 @ 20.00 °C.
Boiling Point: 169.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.566000 mmHg @ 25.00 °C. (est)
Flash Point: 128.00 °F. TCC ( 53.33 °C. )
logP (o/w): 1.610 (est)
Soluble in:
 alcohol
 water, 1391 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:earthy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,5-Octadien-3-one 95%
Parchem
1,5-octadien-3-one
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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: flavoring agents
Recommendation for 1,5-octadien-3-one usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:540 (μg/person/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: 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.050000.50000
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: 0.500005.00000
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: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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 206 (FGE.206): Consideration of genotoxicity data on representatives for 12 alpha,beta-unsaturated ketones and precursors from chemical subgroup 1.2.3 of FGE.19 by EFSA
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5352874
National Institute of Allergy and Infectious Diseases:Data
octa-1,5-dien-3-one
Chemidplus:0065213867
 
References:
 octa-1,5-dien-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5352874
Pubchem (sid):135339919
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32447
FooDB:FDB009956
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dipropyl disulfide
FL/FR
animal
iso
butyl quinoline
FR
indoletal
FR
anise
sweet
fennel seed oil
FL/FR
balsamic
dextro-
borneol
FL/FR
bornyl formate
FL/FR
iso
bornyl formate
FL/FR
T-
cadinol
FL/FR
dextro-
fenchone
FL/FR
fir needle oil siberia
FL/FR
citrus
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-yl acetate
FL/FR
grapefruit oil terpeneless
FL/FR
marine nitrile
FR
coconut
delta-
heptalactone
FL/FR
earthy
bean pyrazine
FL/FR
dibenzyl ether
FL/FR
2-
ethyl fenchol
FL/FR
2-
ethyl-3-methoxypyrazine
FL/FR
(-)-alpha-
fenchol
FL/FR
geosmin
FL/FR
geosmin
FL/FR
heptanal cyclic acetal with glycerol
FL/FR
heptanal glyceryl acetal
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
methyl 3-hexenoate
FL/FR
methyl undecylenate
FL/FR
muscogene
FR
1-
nonen-3-ol
FL/FR
nutty pyrazine
FL/FR
3-
octanol
FL/FR
2-
octanone
FL/FR
(Z)-4-
octen-1-ol
FL/FR
3-
octen-2-one
FL/FR
1-
octen-3-ol
FL/FR
1-
octen-3-one
FL/FR
2-
octyl acetate
FL/FR
patchouli cyclohexanol
FR
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
fatty
3-
decen-2-one
FL/FR
(E)-2-
decenal
FL/FR
methyl 10-undecenoate
FL/FR
methyl 2-hexenoate
FL/FR
floral
dihydro-alpha-ionone
FL/FR
earthy indane
FR
floral methanol
FR
geranium oil morocco
FL/FR
lilac pentanol
FL/FR
linalool oxide
FL/FR
2-
methyl-4-phenyl butanal
FL/FR
octyl acetate
FL/FR
phenyl acetaldehyde 2,3-butylene glycol acetal
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
2-
phenyl propyl acetate
FL/FR
fruity
amyl formate
FL/FR
butyl propionate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
nonanone
FL/FR
2-
pentyl furan
FL/FR
styralyl butyrate
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
fungal
hydroxymethyl hexyl ethyl ketone
FL/FR
green
iso
amyl formate
FL/FR
cortex pyridine
FL/FR
cumin acetaldehyde
FL/FR
iso
cyclocitral (IFF)
FL/FR
earthy acetal
FL/FR
galbanum oil
FL/FR
geranium absolute
FL/FR
(E)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
methyl cyclocitrone (IFF)
FR
oakmoss oil
FR
phenyl acetaldehyde dimethyl acetal
FL/FR
1-
phenyl-2-pentanol
FL/FR
2-
propenyl-para-cymene
FR
iso
propyl quinoline
FR
4-iso
propyl quinoline
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
violet leaf absolute
FL/FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
dimethyl cyclormol (IFF)
FR
geranium concrete
FL/FR
herbal ketone
FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
2-
methyl-3-buten-2-ol
FL/FR
alpha-
pinene
FL/FR
sage oleoresin
FL/FR
mossy
oakmoss absolute
FL/FR
veramoss (IFF)
FR
musty
menthofuran
FL/FR
naphthyl
ortho-
methyl anisole
FL/FR
nutty
2-
acetyl-3-ethyl pyrazine
FL/FR
filbert pyrazine
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
spicy
beta-
caryophyllene alcohol
FL/FR
alpha-
caryophyllene alcohol
FL/FR
caryophyllene alcohol
FL/FR
ginger oleoresin
FL/FR
2-
octanol
FL/FR
terpenic
cypress leaf oil
FR
vegetable
methional
FL/FR
waxy
1-
dodecanol
FL/FR
octyl isobutyrate
FL/FR
2-
tridecanone
FL/FR
woody
beta-
caryophyllene alcohol acetate
FL/FR
cyperus root oil (cyperus scariosus)
FR
dihydro-beta-ionone
FL/FR
herbal norbornane
FR
iso
longifolene ketone
FR
orris hexanone
FR
patchouli oil
FL/FR
pinacol
FR
beta-
terpineol
FL/FR
verdoxan
FR
vetiver oil haiti
FL/FR
For Flavor
No flavor group found for these
bean pyrazine
FL/FR
benzyl disulfide
FL
dextro-
borneol
FL/FR
bornyl formate
FL/FR
T-
cadinol
FL/FR
caryophyllene alcohol
FL/FR
beta-
caryophyllene alcohol
FL/FR
alpha-
caryophyllene alcohol
FL/FR
beta-
caryophyllene alcohol acetate
FL/FR
dimethyl dihydrocyclopentapyrazine
FL
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-yl acetate
FL/FR
earthy acetal
FL/FR
2-
ethyl-3-methoxypyrazine
FL/FR
2-
ethyl-4,5-dimethyl oxazole
FL
geosmin
FL/FR
green pea pyrazine
FL
heptanal cyclic acetal with glycerol
FL/FR
heptanal glyceryl acetal
FL/FR
hydroxymethyl hexyl ethyl ketone
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
2-
methoxy-3-propyl pyrazine
FL
methyl 2-hexenoate
FL/FR
tris(
methyl thio) methane
FL
2-
methyl-3-buten-2-ol
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2-
methyl-4-phenyl butanal
FL/FR
1,5-
octadien-3-ol
FL
(Z)-4-
octen-1-ol
FL/FR
2-
octyl acetate
FL/FR
phenyl acetaldehyde 2,3-butylene glycol acetal
FL/FR
2-
phenyl propyl acetate
FL/FR
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
4-iso
propyl quinoline
FL/FR
beta-
terpineol
FL/FR
alliaceous
alliaceous
dipropyl disulfide
FL/FR
tropical thiazole
FL/FR
anise
sweet
fennel seed oil
FL/FR
astringent
2,3-
dimethyl quinoxaline
FL
balsamic
fir needle oil siberia
FL/FR
berry
dihydro-alpha-ionone
FL/FR
camphoreous
(-)-alpha-
fenchol
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
ortho-
methyl anisole
FL/FR
cheesy
2-
nonanone
FL/FR
citrus
grapefruit oil terpeneless
FL/FR
coffee
methyl furfuryl mercaptopropionate
FL
cooling
dextro-
fenchone
FL/FR
creamy
3-
octen-2-one
FL/FR
octyl isobutyrate
FL/FR
dairy
2-
octanone
FL/FR
earthy
2-
ethyl fenchol
FL/FR
geosmin
FL/FR
1-
nonen-3-ol
FL/FR
1,8-
octane dithiol
FL
1-
octen-3-one
FL/FR
fatty
2-
tridecanone
FL/FR
floral
geranium oil morocco
FL/FR
fruity
amyl formate
FL/FR
butyl propionate
FL/FR
dibenzyl ether
FL/FR
lilac pentanol
FL/FR
methyl 3-hexenoate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
1-
phenyl-2-pentanol
FL/FR
styralyl butyrate
FL/FR
tropical trithiane
FL/FR
green
iso
amyl formate
FL/FR
cortex pyridine
FL/FR
cumin acetaldehyde
FL/FR
iso
cyclocitral (IFF)
FL/FR
3-
decen-2-one
FL/FR
galbanum oil
FL/FR
geranium absolute
FL/FR
(E)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
linalool oxide
FL/FR
oakmoss absolute
FL/FR
2-
pentyl furan
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
propylene glycol acetone ketal
FL
3,5,5-
trimethyl hexanol
FL/FR
violet leaf absolute
FL/FR
herbal
geranium concrete
FL/FR
oregano oleoresin
FL
sage oleoresin
FL/FR
lactonic
delta-
heptalactone
FL/FR
milky
dextro,laevo-3-(
methyl thio) butanone
FL
mushroom
1-
octen-3-ol
FL/FR
musty
menthofuran
FL/FR
3-
octanol
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
nutty
2-
acetyl-1-methyl pyrrole
FL
2-
acetyl-3-ethyl pyrazine
FL/FR
filbert pyrazine
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
nutty pyrazine
FL/FR
phenolic
propyl 2-furoate
FL
soapy
1-
dodecanol
FL/FR
solvent
2-
ethyl furan
FL
spicy
ginger oleoresin
FL/FR
2-
octanol
FL/FR
turmeric oleoresin
FL
sulfurous
diphenyl disulfide
FL
potato butanone
FL
tomato
methional
FL/FR
waxy
(E)-2-
decenal
FL/FR
methyl 10-undecenoate
FL/FR
methyl undecylenate
FL/FR
octyl 2-furoate
FL
octyl acetate
FL/FR
winey
5-
ethyl-2-methyl pyridine
FL
woody
iso
bornyl formate
FL/FR
dihydro-beta-ionone
FL/FR
patchouli oil
FL/FR
alpha-
pinene
FL/FR
vetiver oil haiti
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 whitefish
Search Picture
 
Synonyms:
 octa-1,5-dien-3-one
 

Articles:

PubMed:Identification and characterization of the aroma-impact components of thai fish sauce.
PubMed:Identification and characterization of volatile components causing the characteristic flavor in miso (Japanese fermented soybean paste) and heat-processed miso products.
PubMed:Model studies on the key aroma compounds formed by an oxidative degradation of ω-3 fatty acids initiated by either copper(II) ions or lipoxygenase.
PubMed:Volatile composition of oyster leaf (Mertensia maritima (L.) Gray).
PubMed:Glycosidically bound aroma compounds and impact odorants of four strawberry varieties.
PubMed:Effect of cysteine and cystine addition on sensory profile and potent odorants of extruded potato snacks.
PubMed:Characterization of the key aroma compounds in apricots (Prunus armeniaca) by application of the molecular sensory science concept.
PubMed:Identification of potent odorants formed during the preparation of extruded potato snacks.
PubMed:Impact of growing environment on chickasaw blackberry (Rubus L.) aroma evaluated by gas chromatography olfactometry dilution analysis.
PubMed:Chemical and olfactometric characterization of volatile flavor compounds in a fish oil enriched milk emulsion.
PubMed:Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles.
PubMed:Gas chromatographic-olfactometric characterization of aroma compounds in two types of cashew apple nectar.
PubMed:Identification of potent odorants in different green tea varieties using flavor dilution technique.
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:Comparison of the most odor-active compounds in fresh and dried hop cones (Humulus lupulus L. variety spalter select) based on GC-olfactometry and odor dilution techniques.
PubMed:Quantification and sensory studies of character impact odorants of different soybean lecithins.
PubMed:Volatile constituents of Trichothecium roseum.
 
Notes:
Used as a food additive [EAFUS]
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