(E,Z,Z)-2,4,7-tridecatrienal
2-trans-4-cis-7-cis-tridecatrienal
 
Notes:
Component of cooked chicken flavour. Flavouring ingredient
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(2E,4Z,7Z)-trideca-2,4,7-trienal (Click)
CAS Number: 13552-96-0Picture of molecule
ECHA EINECS - REACH Pre-Reg: 236-936-3
FDA UNII: ITP9P36029
CoE Number: 685
XlogP3-AA: 4.20 (est)
Molecular Weight: 192.30160000
Formula: C13 H20 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: At least 71%; secondary components 14% 4-cis-7-cis-tridecadienol; 6% 3-cis-7-cis-tridecadienol; 5% 2-trans-7-cis-tridecadienal; 3% 2-trans-4-trans-7-cis-tridecatrienal. (EFSA)
Category: flavor and fragrance 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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1198  2-trans-4-cis-7-cis-tridecatrienal
Flavis Number: 05.064 (Old)
DG SANTE Food Flavourings: 05.064  trideca-2(trans),4(cis),7(cis)-trienal
FEMA Number: 3638  2-trans-4-cis-7-cis-tridecatrienal
FDA Mainterm: 2-TRANS,4-CIS,7-CIS-TRIDECATRIENAL
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 71.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.80100 to 0.80900 @  25.00 °C.
Pounds per Gallon - (est).: 6.665 to  6.732
Refractive Index: 1.47200 to 1.47800 @  20.00 °C.
Boiling Point: 138.00 °C. @ 0.30 mm Hg
Boiling Point: 307.00 to  308.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 300.00 °F. TCC ( 148.89 °C. )
logP (o/w): 4.259 (est)
Soluble in:
 alcohol
 water, 5.743 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
 citrus peel  waxy  fatty  oily  fruity  
Odor Description:
at 1.00 % in dipropylene glycol. 
citrus peel waxy fatty oily fruity
 bitter  waxy  sweet  
Taste Description:
bitter waxy sweet
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
2,4,7-Tridecatrienal,(2E,4Z,7Z)-
Parchem
(E,Z,Z)-2,4,7-tridecatrien-1-al
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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
Recommendation for (E,Z,Z)-2,4,7-tridecatrienal usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.18 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.009 (μg/capita/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: 12
Click here to view publication 12
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: -0.01000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.01000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.05000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -0.01000
snack foods: -0.01000
soft candy: --
soups: -0.10000
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 203: alpha,beta-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double bonds and with or without additional non-conjugated double bonds
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 203, Revision 1 (FGE.203Rev1): a,-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6421281
National Institute of Allergy and Infectious Diseases: Data
 (2E,4Z,7Z)-trideca-2,4,7-trienal
Chemidplus: 0013552960
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References:
 (2E,4Z,7Z)-trideca-2,4,7-trienal
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 13552-96-0
Pubchem (cid): 6421281
Pubchem (sid): 135017328
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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): HMDB33545
FooDB: FDB011608
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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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
fruity
(E)-2-hepten-1-yl acetateFL/FR
(Z)-3-octen-1-olFL/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
 petal pyranoneFL/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
waxy
9-decenoic acidFL/FR
 
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Potential Uses:
 coconutFR
 fatFL
 tropicalFL
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Occurrence (nature, food, other): note
 egg yolk heated
Search  Picture
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Synonyms:
(2E,4Z,7Z)-trideca-2,4,7-trienal
(E,Z,Z)-trideca-2,4,7-trienal
 trideca-2(E),4(Z),7(Z)-trienal
 trideca-2(trans),4(cis),7(cis)-trienal
(E,Z,Z)-2,4,7-tridecatrien-1-al
2-(E)-4-(Z)-7-(Z)-tridecatrien-1-al
2-trans-4-cis-7-cis-tridecatrien-1-al
trans,cis,cis-2,4,7-tridecatrien-1-al
2-trans-4-cis-7-cis-tridecatrienal
2-trans,4-cis,7-cis-tridecatrienal
2,4,7-tridecatrienal, (E,Z,Z)-
2,4,7-tridecatrienal, trans,cis,cis-
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