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

3,5-octadien-2-one
3,5-octadienone

Supplier Sponsors

Name:octa-3,5-dien-2-one
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:
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
 
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 mm/Hg @ 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
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
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 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
 
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
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
 
References:
 octa-3,5-dien-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5352876
Pubchem (sid):135158877
Flavornet:38284-27-4
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
HMDB (The Human Metabolome Database):Search
FooDB:FDB029673
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
iso
valeraldehyde
FL/FR
coconut
delta-
undecalactone
FL/FR
creamy
gamma-
butyrolactone
FL/FR
ethereal
decyl propionate
FL/FR
fatty
allyl decanoate
FL/FR
iso
butyl undecylenate
FL/FR
coconut absolute
FL/FR
(S)-gamma-
decalactone
FL/FR
(R)-gamma-
decalactone
FL/FR
dodecyl butyrate
FL/FR
ethyl linoleate
FL/FR
ethyl undecylenate
FL/FR
fruity
allyl cyclohexyl butyrate
FL/FR
(S)-gamma-
dodecalactone
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
methyl 3-nonenoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
octyl heptanoate
FL/FR
herbal
benzyl octanoate
FL/FR
oily
methyl linolenate
FL/FR
sulfurous
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
waxy
(Z)-4-
decen-1-ol
FL/FR
heptyl octanoate
FL/FR
propyl decanoate
FL/FR
winey
2-
hexanol
FL/FR
For Flavor
No flavor group found for these
allyl cyclohexyl butyrate
FL/FR
benzyl octanoate
FL/FR
iso
butyl undecylenate
FL/FR
cocos nucifera water
FL
(S)-gamma-
decalactone
FL/FR
(R)-gamma-
decalactone
FL/FR
(Z)-4-
decen-1-ol
FL/FR
decyl propionate
FL/FR
(S)-gamma-
dodecalactone
FL/FR
dodecyl butyrate
FL/FR
2,3-
epoxyoctanal
FL
ethyl (E)-3-octenoate
FL
ethyl 5-hydroxyoctanoate
FL/FR
ethyl linoleate
FL/FR
2-
hexanol
FL/FR
methyl linolenate
FL/FR
4-
methyl-2-pentenoic acid
FL
octyl heptanoate
FL/FR
oenanthic ether
FL
propyl decanoate
FL/FR
3,5-
undecadien-2-one
FL
acidic
acidic
(E)-2-
hexenoic acid
FL
creamy
delta-
undecalactone
FL/FR
fatty
coconut absolute
FL/FR
ethyl undecylenate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
2-
pentyl thiophene
FL
2,4-
undecadienal
FL
fruity
allyl decanoate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
iso
valeraldehyde
FL/FR
green
3-(5-
methyl-2-furyl) butanal
FL
milky
gamma-
butyrolactone
FL/FR
roasted
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
waxy
heptyl octanoate
FL/FR
 
Potential Uses:
 anchovy
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 
Synonyms:
 octa-3,5-dien-2-one
3,5-octadienone
 

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.
 
Notes:
Flavouring compound [Flavornet]
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