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(E)-2-heptenal
General Material Information
| Preferred name | (E)-2-heptenal |
| Trivial Name | trans-2-Heptenal |
| Short Description | trans-2-heptenal |
| Formula | C7 H12 O |
| CAS Number | 18829-55-5 |
| FEMA Number | 3165 |
| Flavis Number | 5.15 |
| ECHA Number | 242-608-0 |
| FDA UNII | 4NJZ8GMQ6F |
| Nikkaji Number | J110.416K |
| Beilstein Number | 1700822 |
| MDL | MFCD00007010 |
| COE Number | 730 |
| xLogP3-AA | 2.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1360 trans-2-heptenal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| (E)-hept-2-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 18829-55-5 |
| Pubchem (cid): | 5283316 |
| Pubchem (sid): | 134982396 |
| Flavornet: | 18829-55-5 |
| Publications by Info | |
| Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.) | |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB008060 |
| Export Tariff Code: | 2912.19.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 112.17183685303 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.131 to 7.181 |
| Refractive Index | 1.428 to 1.434 @ 20 °C |
| Boiling Point | 90 to 91°C @ 50 mm Hg |
| Boiling Point | 165 to 167°C @ 760 mm Hg |
| Vapor Pressure | 1.823 mmHg @ 25 °C |
| Vapor Density | 3.8 |
| Flash Point TCC Value | 51.67 °C TCC |
| logP (o/w) | 2.3 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 1810 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| pungent, green, vegetable, fresh, fatty, oily, fruity | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | > 1 hour(s) at 100.00 % |
| General comment | At 1.00 % in dipropylene glycol. pungent green vegetable fresh fatty |
| Mosciano, Gerard P&F 17, No. 5, 127, (1992) | Intense green, fatty, oily, with fruity overtones |
| Flavor Type: Green | |
| green, sweet, fresh, fruity, apple skin, fatty | |
| Mosciano, Gerard P&F 17, No. 5, 127, (1992) | At 4.00 ppm. Intense green, sweet, fresh fruity apple skin nuances |
| A variety of fruits including apple, pineapple, fatty notes of nuts especially hazelnut. | Sweet, green, slightly Fatty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Fruit, Galbanum, Geranium, Melon, Woody |
| Flavoring purposes | Apple, Banana, Cucumber, Grape white grape, Green, Herbal, Lemon, Nut, Orange, Peach, Pear, Soup, Vegetable |
| Other purposes | Weedy |
| Cosmetic purposes | Not used anymore |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 21/22 - Harmful in contact with skin and if swallowed. R 38 - Irritating to skin. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37 - Wear suitable protective clothing and gloves. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 1300 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 331, 1988. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 860 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 331, 1988. skin-guinea pig LD50 1530 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 331, 1988. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| IFRA Critical Effect: | |||
| Dermal sensitization | |||
| View the IFRA Standard | |||
| 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 | ||
| 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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 1.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 1.00000 | |
| hard candy: | - | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 1.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 1.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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): | 5.70000 | 12.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 1.50000 | 14.25000 | |
| 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 | 5.03000 | |
| Confectionery (05.0): | 5.50000 | 14.46000 | |
| Chewing gum (05.3): | 6.02000 | 20.87000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 4.80000 | 11.55000 | |
| Bakery wares (07.0): | 5.00000 | 17.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.90000 | 2.98000 | |
| 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 | 5.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 4.43000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 2.50000 | 4.50000 | |
| 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... |
| European Food Safety Authority (EFSA) reference(s): |
| EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19 View page or View pdf |
| Safety and efficacy of 26 compounds belonging to chemical group 3 (a,ß-unsaturated straight-chain and branched-chain aliphatic primary alcohols, aldehydes, acids and esters) when used as flavourings for all animal species and categories View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,ß-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3 View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):18829-55-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5283316 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WISER:UN 1989 |
| WGK Germany:3 |
| (E)-hept-2-enal |
| Chemidplus:0018829555 |
| RTECS:MJ8795000 for cas# 18829-55-5 |