(E,E)-2,4-hexadienal
trans,trans-2,4-hexadienal
Identification
| Name | (E,E)-2,4-hexadienal |
| IUPAC | (2E,4E)-hexa-2,4-dienal |
| CAS Number | 142-83-6 |
| EINECS | 205-564-3 |
| FDA UNII | 878K4I6N7T |
| Molecular Formula | C6 H8 O |
| Molecular Weight | 96.12896000 |
| MDL Number | MFCD00007004 |
| Nikkaji Number | J12.975E |
| Beilstein | 1698401 |
| CoE Number | 640 |
Regulatory
| JECFA Food Flavoring | 1175 (E,E)-2,4-hexadienal |
| DG SANTE Food Flavourings | 05.057 hexa-2(trans),4(trans)-dienal |
| FEMA Number | 3429 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 142-83-6 ; TRANS, TRANS-2,4-HEXADIENAL |
Physical Properties
| Appearance | yellow clear liquid (est) |
| Assay | 97.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.88800 to 0.89800 @ 25.00 °C., 0.89600 to 0.90200 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.389 to 7.472 |
| Pounds per Gallon - est. | 7.464 to 7.514 |
| Refractive Index | 1.53800 to 1.54500 @ 20.00 °C., 1.53800 to 1.54300 @ 20.00 °C. |
| Boiling Point | 69.00 °C. @ 20.00 mm Hg, 173.00 to 174.00 °C. @ 754.00 mm Hg |
| Acid Value | 5.00 max. KOH/g |
| Vapor Pressure | 2.970000 mmHg @ 25.00 °C. (est) |
| Flash Point | 130.00 °F. TCC ( 54.44 °C. ) |
| logP (o/w) | 1.058 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | > 1 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Green, fruity, aldehydic, citrus and waxy Fatty, sweet, green aldehydic odor with a spicy finish Very diffusive green odor, slightly pungent and fatty Very diffusive green odor, slightly pungent, slightly fatty
|
| Taste Description |
at 25.00 ppm. Sweet, green, creamy Citrus like green
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 300 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 270 ul/kg |
| Inhalation Toxicity | inhalation-rat LCLo 2000 ppm/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | cosmetic and flavor agents |
| IFRA Critical Effect | Insufficient data |
| Recommendation for (E,E)-2,4-hexadienal usage levels up to | PROHIBITED: Should not be used as a fragrance ingredient. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.51 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1800 (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) | 3.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | 3.50000 |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | 5.00000 |
| Confectionery (05.0) | 5.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.03000 |
| Bakery wares (07.0) | 5.00000 |
| Meat and meat products, including poultry and game (08.0) | 5.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 7.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | 7.00000 |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 1.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.03000 |
| Ready-to-eat savouries (15.0) | - |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 3.50000 |
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Potential Uses
Natural Occurrence
Synonyms
(2E,4E)-
hexa-2,4-dienal
(E,E)-
hexa-2,4-dienal
hexa-2(trans),4(trans)-dienal
(E,E)-2,4-
hexadien-1-al
(E)-2,(E)-4-
hexadien-1-al
trans-2,trans-4-
hexadien-1-al
trans,trans-2,4-
hexadien-1-al
(2E,4E)-2,4-
hexadienal
(E,E)-2,4-
hexadienal
T2 T4
hexadienal
trans-2, trans-4-
hexadienal
trans,trans-2,4-
hexadienal
2,4-
hexadienal (89% trans,trans;11% cis,trans)
2,4-
hexadienal, (2E,4E)-
2,4-
hexadienal, (E,E)-
2,4-
hexadienal, trans,trans-
1,3-
pentadiene-1-carboxaldehyde
2-
propylene acrolein
3-
propylene acrolein
sorbaldehyde
sorbic aldehyde
PubMed:
Volatile composition of four southern highbush blueberry cultivars and effect of growing location and harvest date.
PubMed:
The atmospheric photolysis of E-2-hexenal, Z-3-hexenal and E,E-2,4-hexadienal.
PubMed:
Volatile emissions from Aesculus hippocastanum induced by mining of larval stages of Cameraria ohridella influence oviposition by conspecific females.
PubMed:
NTP toxicology and carcinogensis Studies of 2,4-hexadienal (89% trans,trans isomer, CAS No. 142-83-6; 11% cis,trans isomer) (Gavage Studies).
PubMed:
Structure-activity relationships in the induction of DNA-protein cross-links by hematotoxic ring-opened benzene metabolites and related compounds in HL60 cells.
PubMed:
Iron-stimulated ring-opening of benzene in a mouse liver microsomal system. Mechanistic studies and formation of a new metabolite.
PubMed:
The hematotoxic effects of 6-hydroxy-trans,trans-2,4-hexadienal, a reactive metabolite of trans,trans-muconaldehyde, in CD-1 mice.
PubMed:
Mutagenicity of trans,trans-muconaldehyde and its metabolites in V79 cells.
PubMed:
Identification and characterization of deoxyguanosine adducts of mutagenic beta-alkyl-substituted acrolein congeners.
PubMed:
Pathways of trans,trans-muconaldehyde metabolism in mouse liver cytosol: reversibility of monoreductive metabolism and formation of end products.