2-heptenal
3-butyl acrolein
Identification
| Name | 2-heptenal |
| IUPAC | hept-2-enal |
| CAS Number | 2463-63-0 |
| EINECS | 219-563-0 |
| FDA UNII | Search |
| Molecular Formula | C7 H12 O |
| Molecular Weight | 112.17184000 |
| Beilstein | 1745160 |
| CoE Number | 730 |
Regulatory
| DG SANTE Food Flavourings | 05.070 2-heptenal |
| FDA Mainterm (SATF) | 2463-63-0 ; 2-HEPTENAL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| 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 | 80.00 to 83.00 °C. @ 14.00 mm Hg, 166.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.823000 mmHg @ 25.00 °C. (est) |
| Flash Point | 128.00 °F. TCC ( 53.33 °C. ) |
| logP (o/w) | 2.300 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
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 2-heptenal usage levels up to | 0.0200 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 8.20 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 30.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 510 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| Dairy products, excluding products of category 02.0 (01.0) | 1.14000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| 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) | 0.78000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.73000 |
| Bakery wares (07.0) | 1.45000 |
| Meat and meat products, including poultry and game (08.0) | 0.15000 |
| 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) | 0.05000 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.90000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | - |
| 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) | - |
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Potential Uses
Natural Occurrence
Synonyms
butyl acrolein
3-
butyl acrolein
hept-2-enal
2-
hepten-1-al
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