Name: | (2E,4Z,7Z)-trideca-2,4,7-trienal |
CAS Number: | 13552-96-0 | 3D/inchi
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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, Edge or firefox) |
EFSA/JECFA Comments: |
At least 71%; secondarycomponents 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 |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless to pale yellow clear liquid (est) |
Assay: | 71.00 to 100.00
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.80100 to 0.80900 @ 25.00 °C.
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Pounds per Gallon - (est).: | 6.665 to 6.732
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Refractive Index: | 1.47200 to 1.47800 @ 20.00 °C.
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Boiling Point: | 138.00 °C. @ 0.30 mm Hg
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Boiling Point: | 307.00 to 308.00 °C. @ 760.00 mm Hg
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Acid Value: | 1.00 max. KOH/g
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Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
Flash Point: | 300.00 °F. TCC ( 148.89 °C. )
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logP (o/w): | 4.259 (est) |
Soluble in: |
| alcohol | | water, 5.743 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Organoleptic Properties:
Odor Type: fatty |
citrus peel waxy fatty oily fruity |
Odor Description:at 1.00 % in dipropylene glycol. citrus peel waxy fatty oily fruity |
Flavor Type: bitter |
bitter waxy sweet |
Taste Description: bitter waxy sweet |
Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: |
Not determined
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Dermal Toxicity: |
Not determined
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Inhalation Toxicity: |
Not determined
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Safety in Use Information:
Category: | flavor and fragrance agents |
RIFM Fragrance Material Safety Assessment: Search |
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
Recommendation for (E,Z,Z)-2,4,7-tridecatrienal usage levels up to: | | 2.0000 % in the fragrance concentrate.
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Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.18 (μg/capita/day) |
Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.009 (μg/capita/day) |
Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1.20 (μg/person/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: 12 |
Click here to view publication 12 |
| average usual ppm | average 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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Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| average usage mg/kg | maximum usage mg/kg |
Dairy products, excluding products of category 02.0 (01.0): | - | - |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.00100 | 1.00000 |
Edible ices, including sherbet and sorbet (03.0): | - | - |
Processed fruit (04.1): | - | - |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
Confectionery (05.0): | - | - |
Chewing gum (05.3): | - | - |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | - | - |
Bakery wares (07.0): | - | - |
Meat and meat products, including poultry and game (08.0): | 0.00100 | 2.00000 |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.00100 | 1.00000 |
Eggs and egg products (10.0): | - | - |
Sweeteners, including honey (11.0): | - | - |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.00100 | 1.00000 |
Foodstuffs intended for particular nutritional uses (13.0): | - | - |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | - | - |
Ready-to-eat savouries (15.0): | 0.05000 | 1.00000 |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - |
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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European Food Safety Authority (EFSA) reference(s):
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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
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Scientific Opinion on Flavouring Group Evaluation 203, Revision 1 (FGE.203Rev1): a,ß-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
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Scientific Opinion on Flavouring Group Evaluation 203, Revision 2 (FGE.203Rev2): a,ß-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
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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
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EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
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 |
References:
Other Information:
Potential Blenders and core components note
For Odor |
No odor group found for these |
iso valeraldehyde diethyl acetal FL/FR |
aldehydic |
aldehydic |
tridecanal FL/FR |
animal |
civet (natural) FL/FR |
methyl (E)-2-octenoate FL/FR |
anisic |
amyl furoate FL/FR |
buttery |
acetyl butyryl FL/FR |
butter cream fragrance FR |
cheesy |
2- methyl hexanoic acid FL/FR |
iso valeric acid FL/FR |
chocolate |
cocoa pentenal FL/FR |
citrus |
2- tetradecenal FL/FR |
coffee |
furfuryl mercaptan FL/FR |
creamy |
gamma- butyrolactone FL/FR |
creamy lactone FL/FR |
dairy |
milk fragrance FR |
ethereal |
decyl propionate FL/FR |
fatty |
allyl cyclohexyl hexanoate FL/FR |
allyl octanoate FL/FR |
butter esters FL/FR |
iso butyl undecylenate FL/FR |
coconut absolute FL/FR |
(Z)- dairy lactone FL/FR |
2,4- decadien-1-ol FL/FR |
(E,E)-2,4- decadien-1-ol FL/FR |
decane nitrile FR |
decanol FL/FR |
(E)-2- decen-1-ol FL/FR |
2- decen-1-ol FL/FR |
(E)-2- decenal FL/FR |
ethyl (Z)-linoleate FL/FR |
(Z)- ethyl oleate FL/FR |
ethyl undecylenate FL/FR |
delta- juniper lactone FL/FR |
methyl 10-undecenoate FL/FR |
4- methyl octanoic acid FL/FR |
(Z)-2- nonenal CS |
delta- octadecalactone FL/FR |
octanoic acid FL/FR |
(Z)-3- octen-1-ol FL/FR |
(Z)- oleic acid FL/FR |
perilla seed oil FL/FR |
sorbitan oleate CS |
floral |
alpha- amyl cinnamaldehyde FL/FR |
alpha- amyl cinnamaldehyde / methyl anthranilate schiff's base FR |
apple blossom fragrance FR |
decanal / methyl anthranilate schiff's base FR |
(±)-4- ethyl octanal FL/FR |
alpha- hexyl cinnamaldehyde FL/FR |
hydroxycitronellal FL/FR |
jasmin concrete FR |
jasmin concrete morocco FR |
octanal / methyl anthranilate schiff's base FR |
2- pentadecanone FL/FR |
rose butanoate FL/FR |
rose concrete (rosa damascena) FR |
fruity |
iso amyl nonanoate FL/FR |
butyl 2-decenoate FL/FR |
dodecyl isobutyrate FL/FR |
(R)-(-)-2- heptanol FL/FR |
(E)-2- hepten-1-yl acetate FL/FR |
hexyl valerate FL/FR |
(E)-7- methyl-3-octen-2-one FL/FR |
3- nonen-2-one FL/FR |
octyl heptanoate FL/FR |
octyl octanoate FL/FR |
gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR |
green |
green cognac oil FL/FR |
3,7- dimethyl-6-octenoic acid FL/FR |
3- heptanone FL/FR |
(Z)-3- hepten-1-ol FL/FR |
(Z)-4- hepten-1-ol FL/FR |
(Z)-4- heptenal FL/FR |
(Z)-4- heptenal diethyl acetal FL/FR |
neryl butyrate FL/FR |
iso propyl decanoate FL/FR |
herbal |
benzyl octanoate FL/FR |
butyl levulinate FL/FR |
5- methyl-3-heptanone FL/FR |
perillaldehyde FL/FR |
mushroom |
(S)-(+)-2- heptanol FL/FR |
musk |
iso ambrettolide FL/FR |
musk nonane FR |
nutty |
brazil nut fragrance FR |
oily |
amyl laurate FL/FR |
butter acids FL/FR |
methyl linoleate FL/FR |
methyl linolenate FL/FR |
petal pyranone FL/FR |
soapy |
benzyl laurate FL/FR |
ethyl undecanoate FL/FR |
spicy |
cinnamon leaf oil ceylon FL/FR |
cinnamon leaf oil replacer FR |
tonka |
6- amyl-alpha-pyrone FL/FR |
waxy |
(Z)-4- decen-1-ol FL/FR |
9- decenoic acid FL/FR |
1- dodecanol FL/FR |
ethyl myristate FL/FR |
ethyl octanoate FL/FR |
methyl myristate FL/FR |
methyl palmitate FL/FR |
methyl undecanoate FR |
myristic acid FL/FR |
2,4- nonadien-1-ol FL/FR |
palmitic acid FR |
delta- tetradecalactone FL/FR |
tetradecanal FL/FR |
2- tridecanone FL/FR |
1- undecanol FL/FR |
woody |
nopyl aldehyde FR |
For Flavor |
No flavor group found for these |
allyl cyclohexyl hexanoate FL/FR |
amyl furoate FL/FR |
amyl laurate FL/FR |
benzyl octanoate FL/FR |
iso butyl undecylenate FL/FR |
(Z)-4- decen-1-ol FL/FR |
(E)-2- decen-1-ol FL/FR |
decyl propionate FL/FR |
dodecyl isobutyrate FL/FR |
ethyl (Z)-linoleate FL/FR |
(±)-4- ethyl octanal FL/FR |
(S)-(+)-2- heptanol FL/FR |
(R)-(-)-2- heptanol FL/FR |
(Z)-3- hepten-1-ol FL/FR |
(E)-2- hepten-1-yl acetate FL/FR |
hexyl valerate FL/FR |
5- methyl hexanoic acid FL |
methyl linoleate FL/FR |
methyl linolenate FL/FR |
methyl myristate FL/FR |
methyl palmitate FL/FR |
3- methyl-2-cyclopenten-1-one FL |
delta- octadecalactone FL/FR |
octyl heptanoate FL/FR |
octyl octanoate FL/FR |
perilla seed oil FL/FR |
iso propyl decanoate FL/FR |
2- tetradecenal FL/FR |
iso valeraldehyde diethyl acetal FL/FR |
valeraldehyde diethyl acetal FL |
aldehydic |
aldehydic |
1- undecanol FL/FR |
animal |
civet (natural) FL/FR |
bitter |
glyceryl tributyrate FL |
cheesy |
iso valeric acid FL/FR |
coffee |
furfuryl mercaptan FL/FR |
creamy |
acetyl butyryl FL/FR |
6- amyl-alpha-pyrone FL/FR |
butter esters FL/FR |
creamy lactone FL/FR |
gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR |
ethereal |
benzyl laurate FL/FR |
fatty |
allyl octanoate FL/FR |
butter acids FL/FR |
coconut absolute FL/FR |
(Z)- dairy lactone FL/FR |
(E,E)-2,4- decadien-1-ol FL/FR |
2,4- decadien-1-ol FL/FR |
dimethyl sulfoxide FL |
(Z)- ethyl oleate FL/FR |
ethyl undecylenate FL/FR |
delta- juniper lactone FL/FR |
4- methyl octanoic acid FL/FR |
(E)-7- methyl-3-octen-2-one FL/FR |
2,4- nonadien-1-ol FL/FR |
(Z)-3- octen-1-ol FL/FR |
(E)-2- octenoic acid FL |
(Z)- oleic acid FL/FR |
2- pentadecanone FL/FR |
tetradecanal FL/FR |
2- tridecanone FL/FR |
(E,E)-2,4- undecadienal FL |
floral |
cocoa pentenal FL/FR |
3,7- dimethyl-6-octenoic acid FL/FR |
fruity |
butyl 2-decenoate FL/FR |
(E)-2- decenoic acid FL |
methyl (E)-2-octenoate FL/FR |
5- methyl-3-heptanone FL/FR |
rose butanoate FL/FR |
fusel |
green cognac oil FL/FR |
green |
(Z)-4- hepten-1-ol FL/FR |
(Z)-4- heptenal FL/FR |
(E)-2- heptenal FL |
(Z)-4- heptenal diethyl acetal FL/FR |
3-(5- methyl-2-furyl) butanal FL |
neryl butyrate FL/FR |
2,4- octadienal FL |
herbal |
butyl levulinate FL/FR |
ketonic |
3- heptanone FL/FR |
milky |
gamma- butyrolactone FL/FR |
musk |
iso ambrettolide FL/FR |
nutty |
arachis hypogaea fruit extract FL |
oily |
2- methyl hexanoic acid FL/FR |
3- nonen-2-one FL/FR |
petal pyranone FL/FR |
soapy |
1- dodecanol FL/FR |
octanoic acid FL/FR |
spicy |
cinnamon leaf oil ceylon FL/FR |
perillaldehyde FL/FR |
tropical |
alpha- amyl cinnamaldehyde FL/FR |
waxy |
decanol FL/FR |
2- decen-1-ol FL/FR |
(E)-2- decenal FL/FR |
9- decenoic acid FL/FR |
ethyl myristate FL/FR |
ethyl octanoate FL/FR |
ethyl undecanoate FL/FR |
alpha- hexyl cinnamaldehyde FL/FR |
hydroxycitronellal FL/FR |
methyl 10-undecenoate FL/FR |
myristic acid FL/FR |
delta- tetradecalactone FL/FR |
tridecanal FL/FR |
winey |
iso amyl nonanoate FL/FR |
Potential Uses:
Occurrence (nature, food, other): note
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- |
Articles:
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