(E)-2-heptenal
trans-2-heptenal
Identification
| Name | (E)-2-heptenal |
| IUPAC | (E)-hept-2-enal |
| CAS Number | 18829-55-5 |
| EINECS | 242-608-0 |
| FDA UNII | 4NJZ8GMQ6F |
| Molecular Formula | C7 H12 O |
| Molecular Weight | 112.17184000 |
| MDL Number | MFCD00007010 |
| Nikkaji Number | J110.416K |
| Beilstein | 1700822 |
| CoE Number | 730 |
Regulatory
| JECFA Food Flavoring | 1360 trans-2-heptenal |
| DG SANTE Food Flavourings | 05.150 hept-2(trans)-enal |
| FEMA Number | 3165 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 98.60 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.85700 to 0.86300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.131 to 7.181 |
| Refractive Index | 1.42800 to 1.43400 @ 20.00 °C. |
| Boiling Point | 90.00 to 91.00 °C. @ 50.00 mm Hg, 165.00 to 167.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.823000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 3.8 ( Air = 1 ) |
| Flash Point | 125.00 °F. TCC ( 51.67 °C. ) |
| logP (o/w) | 2.300 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | not used anymore |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | > 1 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in dipropylene glycol. Intense green, fatty, oily, with fruity overtones Fatty, green, slightly citrus, apple character with a spicy finish reminiscent of perilla leaf Green vegetable-like odor, with fatty undertone Pungent, Green, Fatty Green vegetable like odor, somewhat juicy with fatty undertone
|
| Taste Description |
at 4.00 ppm. Sweet, green, slightly Fatty
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 1300 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 860 mg/kg |
| 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 | flavoring agents |
| IFRA Critical Effect | Dermal sensitization |
| Recommendation for (E)-2-heptenal usage levels up to | PROHIBITED: Should not be used as a fragrance ingredient. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 16.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 30.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1700 (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) | 5.70000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 1.50000 |
| 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) | 5.00000 |
| Confectionery (05.0) | 5.50000 |
| Chewing gum (05.3) | 6.02000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 4.80000 |
| Bakery wares (07.0) | 5.00000 |
| Meat and meat products, including poultry and game (08.0) | 0.90000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | - |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 2.00000 |
| 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) | 1.00000 |
| Ready-to-eat savouries (15.0) | 2.50000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
Alfrebro LLC/ Archer Daniels Midland Company
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