(E,Z,Z)-2,4,7-tridecatrienal
2-trans-4-cis-7-cis-tridecatrienal
Identification
| Name | (E,Z,Z)-2,4,7-tridecatrienal |
| IUPAC | (2E,4Z,7Z)-trideca-2,4,7-trienal |
| CAS Number | 13552-96-0 |
| EINECS | 236-936-3 |
| FDA UNII | ITP9P36029 |
| Molecular Formula | C13 H20 O |
| Molecular Weight | 192.30160000 |
| CoE Number | 685 |
Regulatory
| JECFA Food Flavoring | 1198 2-trans-4-cis-7-cis-tridecatrienal |
| DG SANTE Food Flavourings | 05.064 trideca-2(trans),4(cis),7(cis)-trienal |
| FEMA Number | 3638 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 13552-96-0 ; 2-TRANS,4-CIS,7-CIS-TRIDECATRIENAL |
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, 307.00 to 308.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | 300.00 °F. TCC ( 148.89 °C. ) |
| logP (o/w) | 4.259 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 1.00 % in dipropylene glycol. |
| Taste Description | bitter waxy sweet |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1.20 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | - |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.00100 |
| 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 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.00100 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.00100 |
| 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 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
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Potential Uses
Natural Occurrence
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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