3,5-octadien-2-one
3,5-octadienone
 
Notes:
Flavouring compound [Flavornet]
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CAS Number: 38284-27-4Picture of molecule3D/inchi
Nikkaji Web: J475.291K
Molecular Weight: 124.18284000
Formula: C8 H12 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86700 to 0.87300 @  25.00 °C.
Pounds per Gallon - (est).: 7.214 to  7.264
Refractive Index: 1.50900 to 1.51500 @  20.00 °C.
Boiling Point: 194.00 to  195.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.437000 mmHg @ 25.00 °C. (est)
Flash Point: 156.00 °F. TCC ( 69.30 °C. ) (est)
logP (o/w): 1.640 (est)
Soluble in:
 alcohol
 water, 1624 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fatty
 
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 
 fruity  fatty  mushroom  
Odor Description:
at 1.00 % in dipropylene glycol. 
fruity fatty mushroom
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 3,5-octadien-2-one usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.011 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (μg/capita/day)
Structure Class: II
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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 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
EPI System: View
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Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5352876
National Institute of Allergy and Infectious Diseases: Data
 octa-3,5-dien-2-one
Chemidplus: 0038284274
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References:
 octa-3,5-dien-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5352876
Pubchem (sid): 135158877
Flavornet: 38284-27-4
Pherobase: View
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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
HMDB (The Human Metabolome Database): Search
FooDB: FDB029673
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
isovaleraldehydeFL/FR
coconut
delta-undecalactoneFL/FR
creamy
gamma-butyrolactoneFL/FR
ethereal
 decyl propionateFL/FR
fatty
 allyl decanoateFL/FR
isobutyl undecylenateFL/FR
 coconut absoluteFL/FR
(R)-gamma-decalactoneFL/FR
(S)-gamma-decalactoneFL/FR
 dodecyl butyrateFL/FR
 ethyl linoleateFL/FR
 ethyl undecylenateFL/FR
fruity
 allyl cyclohexyl butyrateFL/FR
(S)-gamma-dodecalactoneFL/FR
 ethyl 5-hydroxyoctanoateFL/FR
 methyl 3-nonenoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
 octyl heptanoateFL/FR
herbal
 benzyl octanoateFL/FR
oily
 methyl linolenateFL/FR
sulfurous
O-methyl S-1-methoxyhexan-3-yl carbonothioateFL/FR
waxy
(Z)-4-decen-1-olFL/FR
 heptyl octanoateFL/FR
 propyl decanoateFL/FR
winey
2-hexanolFL/FR
 
For Flavor
 
No flavor group found for these
 allyl cyclohexyl butyrateFL/FR
 benzyl octanoateFL/FR
isobutyl undecylenateFL/FR
 cocos nucifera waterFL
(S)-gamma-decalactoneFL/FR
(R)-gamma-decalactoneFL/FR
(Z)-4-decen-1-olFL/FR
 decyl propionateFL/FR
(S)-gamma-dodecalactoneFL/FR
 dodecyl butyrateFL/FR
2,3-epoxyoctanalFL
 ethyl (E)-3-octenoateFL
 ethyl 5-hydroxyoctanoateFL/FR
 ethyl linoleateFL/FR
2-hexanolFL/FR
 methyl linolenateFL/FR
4-methyl-2-pentenoic acidFL
 octyl heptanoateFL/FR
 oenanthic etherFL
 propyl decanoateFL/FR
3,5-undecadien-2-oneFL
acidic
(E)-2-hexenoic acidFL
creamy
delta-undecalactoneFL/FR
fatty
 coconut absoluteFL/FR
 ethyl undecylenateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
2-pentyl thiopheneFL
2,4-undecadienalFL
fruity
 allyl decanoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
isovaleraldehydeFL/FR
green
3-(5-methyl-2-furyl) butanalFL
milky
gamma-butyrolactoneFL/FR
roasted
O-methyl S-1-methoxyhexan-3-yl carbonothioateFL/FR
waxy
 heptyl octanoateFL/FR
 
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Potential Uses:
 anchovyFL
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Occurrence (nature, food, other): note
 coffee
Search  PMC Picture
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Synonyms:
 octa-3,5-dien-2-one
3,5-octadienone
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Articles:
US Patents: 3,937,228 - Aromatic compositions
PubMed: Odorant synergy effects as the cause of fishy malodors in algal marine oils.
US Patents: Flavoring phenol or phenol derivative containing food or feed with cycloaliphatic derivatives
PubMed: Pro-oxidant/antioxidant behaviours of ascorbic acid, tocopherol, and plant extracts in n-3 highly unsaturated fatty acid rich oil-in-water emulsions.
PubMed: Studies on the aroma of maté (Ilex paraguariensis St. Hil.) using headspace solid-phase microextraction.
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