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

(E,E)-3,5-octadien-2-one
trans,trans-3,5-octadien-2-one

Sponsors

Name:(3E,5E)-octa-3,5-dien-2-one
CAS Number: 30086-02-3Picture of molecule3D/inchi
FDA UNII:TD4E94AD7V
Nikkaji Web:J126.520B
CoE Number:2148
XlogP3-AA:1.80 (est)
Molecular Weight:124.18284000
Formula:C8 H12 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated (E,E)-3,5-Octadien-2-one (CASrn as in Register). CASrn in Register to be verified.
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:1139 (E,E)-3,5-octadien-2-one
FLAVIS Number:07.247 (Old)
DG SANTE Food Flavourings:07.247 (E,E)-3,5-octadien-2-one
FEMA Number:4008 (E,E)-3,5-octadien-2-one
FDA Mainterm: 3,5-OCTADIEN-2-ONE, TRANS, TRANS-
 
Physical Properties:
Appearance:yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.88000 to 0.89000 @ 20.00 °C.
Pounds per Gallon - (est).: 7.331 to 7.414
Specific Gravity:0.88000 to 0.89000 @ 25.00 °C.
Pounds per Gallon - est.: 7.322 to 7.406
Refractive Index:1.50800 to 1.51600 @ 20.00 °C.
Refractive Index:1.50800 to 1.51600 @ 20.00 °C.
Boiling Point: 185.00 to 186.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 220.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.437000 mm/Hg @ 25.00 °C. (est)
Flash Point: 146.00 °F. TCC ( 63.33 °C. )
logP (o/w): 1.770 (est)
Soluble in:
 alcohol
 water, 1624 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
fruity green grassy
Odor Description:at 1.00 % in dipropylene glycol. fruity green grassy
Odor and/or flavor descriptions from others (if found).
Frutarom
3,5-OCTADIEN-2-ONE ≥96.00%, NI, Kosher
Odor Description:Fruity, Green Grassy
Suggested Uses: Honey, Soft Fruits
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
3,5-Octadien-2-one,(3E,5E)-
BOC Sciences
For experimental / research use only.
3,5-OCTADIEN-2-ONE 95%
Frutarom
3,5-OCTADIEN-2-ONE
≥96.00%, NI, Kosher
Odor: Fruity, Green Grassy
Use: Suggested Uses: Honey, Soft Fruits
Penta International
trans,trans-3,5-OCTADIEN-2-ONE, Kosher
Soda Aromatic
T.T-3,5-Octadien-2-one
Taytonn
3,5-Octadien-2-one
Odor: Fruity, Grass, Green
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 36/37/39 - Wear suitable clothing, 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: flavoring agents
Recommendation for (E,E)-3,5-octadien-2-one usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (μg/capita/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: 20
 average usual ppmaverage maximum ppm
baked goods: 4.000008.00000
beverages(nonalcoholic): 2.000005.00000
beverages(alcoholic): 2.000005.00000
breakfast cereal: --
cheese: --
chewing gum: 16.0000030.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.000005.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 4.000008.00000
imitation dairy: 2.000004.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 2.000004.00000
soft candy: 3.000006.00000
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 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 :5352876
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:2
(3E,5E)-octa-3,5-dien-2-one
Chemidplus:0030086023
 
References:
 (3E,5E)-octa-3,5-dien-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5352876
Pubchem (sid):135158877
 
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):HMDB32446
FooDB:FDB009955
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
2-
acetyl-4-isopropenyl pyridine
FL
2-
acetyl-4-isopropyl pyridine
FL
actinidia chinensis fruit juice
FL
allyl levulinate
FL
allyl tiglate
FL
2,5-
diethyl-4-propyl thiazole
FL
ethyl 2-(methyl thio) acetate
FL
3-(2-
furyl) acrolein
FL
(E,E)-2,4-
heptadien-1-ol
FL
2-
heptenoic acid
FL
(E)-3-
hexenal
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
(Z)-3-
hexenoic acid
FL
hexyl (E)-2-hexenoate
FL
methyl 3-hydroxybutyrate
FL
methyl 4-pentenoate
FL
3-(
methyl thio) hexanal
FL
2-
methyl-2-octenal
FL
(E)-2-
methyl-2-octenal
FL
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
3-
octyl butyrate
FL
creamy
creamy
2,4-
heptadienal
FL
earthy
1-
hexen-3-yl acetate
FL
fruity
ethyl (E)-2-octenoate
FL
furfuryl propionate
FL
kiwi distillates
FL
methyl (E)-3-nonenoate
FL
(Z)-3-
nonen-1-yl acetate
FL
(Z)-5-
octen-1-yl acetate
FL
green
(E,E)-2,4-
hexadienal
FL
(E)-2-
hexenal diethyl acetal
FL
methyl 2-undecynoate
FL
pungent
acetaldehyde
FL
sour
3-
methyl valeric acid
FL
 
Potential Uses:
 fruit tropical fruit
 grass
FLgreen
FLhoney miel
 
Occurrence (nature, food, other):note
 brassica oleracea var. acephala
Search Trop Picture
 oyster
Search PMC Picture
 
Synonyms:
(3E,5E)-octa-3,5-dien-2-one
(E,E)-octa-3,5-dien-2-one
(3E,5E)-3,5-octadien-2-one
trans,trans-3,5-octadien-2-one
3,5-octadien-2-one, (3E,5E)-
3,5-octadien-2-one, (E,E)-
 
 
Notes:
Used as a food additive [EAFUS]
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy