ethyl 2,4,7-decatrienoate
2,4,7-decatrienoic acid, ethyl ester
 
Notes:
Used as a food additive [EAFUS]
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      Product(s):
      78417-28-4 Ethyl 2,4,7-decatrienoate
       
  • CSA
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CAS Number: 78417-28-4Picture of molecule3D/inchi
FDA UNII: H59MQA278Y
Nikkaji Web: J1.540.014E
CoE Number: 10576
XlogP3-AA: 3.30 (est)
Molecular Weight: 194.27386000
Formula: C12 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Mixture of (Z)- and (E)- isomer for all three C=C double bonds (EFFA, 2010a). CASrn in Register does not specify stereoisomeric composition. Composition of stereoisomeric mixture to be specified.
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1193  ethyl 2,4,7-decatrienoate
DG SANTE Food Flavourings: 09.371  ethyl deca-2,4,7-trienoate
FEMA Number: 3832 ethyl 2,4,7-decatrienoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):78417-28-4 ; ETHYL 2,4,7-DECATRIENOATE
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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: 0.93300 to 0.93900 @  25.00 °C.
Pounds per Gallon - (est).: 7.763 to  7.813
Refractive Index: 1.54700 to 1.55400 @  20.00 °C.
Boiling Point: 134.00 °C. @ 14.00 mm Hg
Boiling Point: 281.00 to  282.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.004000 mmHg @ 25.00 °C. (est)
Flash Point: 283.00 °F. TCC ( 139.44 °C. )
logP (o/w): 3.999 (est)
Soluble in:
 alcohol
 water
 water, 13.42 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Description:
at 10.00 % in dipropylene glycol. 
mild fatty
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
2,4,7-Decatrienoicacid, ethyl ester
BOC Sciences
For experimental / research use only.
Ethyl 2,4,7-decatrienoate
Parchem
ethyl 2,4,7-decatrienoate
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: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for ethyl 2,4,7-decatrienoate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 18
Click here to view publication 18
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.010000.02000
cheese: --
chewing gum: 0.050000.10000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.010000.03000
fish products: --
frozen dairy: --
fruit ices: 0.020000.05000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.020000.05000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.010000.03000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.005000.01000
snack foods: --
soft candy: 0.010000.02000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf
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):
Flavouring Group Evaluation 70 (FGE.70): Consideration of aliphatic, alicyclic, linear, alpha,beta-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st meeting)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 70, Revision 1 (FGE.70Rev1): consideration of aliphatic, linear, a,ß-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st-68th-69th meeting)
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 78417-28-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6365780
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 ethyl deca-2,4,7-trienoate
Chemidplus: 0078417284
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References:
 ethyl deca-2,4,7-trienoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6365780
Pubchem (sid): 135248410
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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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB35235
FooDB: FDB013892
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
isovaleraldehyde diethyl acetalFL/FR
buttery
 acetyl butyrylFL/FR
ethereal
 decyl propionateFL/FR
fatty
 allyl cyclohexyl hexanoateFL/FR
isobutyl undecylenateFL/FR
 coconut absoluteFL/FR
(Z)-3-octen-1-olFL/FR
fruity
(E)-2-hepten-1-yl acetateFL/FR
 octyl heptanoateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
3-heptanoneFL/FR
herbal
 benzyl octanoateFL/FR
oily
 petal pyranoneFL/FR
waxy
9-decenoic acidFL/FR
 
For Flavor
 
No flavor group found for these
 allyl cyclohexyl hexanoateFL/FR
 benzyl octanoateFL/FR
isobutyl undecylenateFL/FR
 decyl propionateFL/FR
(E)-2-hepten-1-yl acetateFL/FR
3-methyl-2-cyclopenten-1-oneFL
 octyl heptanoateFL/FR
isovaleraldehyde diethyl acetalFL/FR
 valeraldehyde diethyl acetalFL
creamy
 acetyl butyrylFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
fatty
 coconut absoluteFL/FR
(Z)-3-octen-1-olFL/FR
green
3-(5-methyl-2-furyl) butanalFL
ketonic
3-heptanoneFL/FR
oily
 petal pyranoneFL/FR
waxy
9-decenoic acidFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 durian fruit
Search Trop  Picture
 pear fruit
Search Trop  Picture
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Synonyms:
2,4,7-decatrienoic acid, ethyl ester
 ethyl deca-2,4,7-trienoate
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