| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 2396-83-0 |
| ECHA EC Number: | 219-257-7 |
| FDA UNII: | Search |
| Category: | flavor and fragrance agents |
| IUPAC Name: | ethyl 3-hexenoate |
| InChI : | InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3 |
| Std.InChI: | InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3 |
| InChIKey : | VTSFIPHRNAESED-UHFFFAOYAN |
| Std.InChIKey: | VTSFIPHRNAESED-UHFFFAOYSA-N |
| SMILES : | CCC=CCC(=O)OCC |
| MDL: | MFCD00036524 |
| Molar Refractivity : | 40.94 ± 0.3 cm3 (est) |
| Parachor : | 362.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.432 ± 0.02 (est) |
| Surface Tension : | 27.8 ± 3.0 dyne/cm (est) |
| Density : | 0.901 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.23 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 335 ethyl 3-hexenoate |
| DG SANTE Food Flavourings: | 09.191 ethyl hex-3-enoate |
| FEMA Number: | 3342 ethyl 3-hexenoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2396-83-0 ; ETHYL 3-HEXENOATE |
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89000 to 0.89800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.406 to 7.472 |
| Refractive Index: | 1.42100 to 1.42800 @ 20.00 °C. |
| Boiling Point: | 63.00 to 64.00 °C. @ 12.00 mm Hg |
| Boiling Point: | 70.00 °C. @ 28.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 1.553000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 130.00 °F. TCC ( 54.44 °C. ) |
| logP (o/w): | 2.366 (est) |
| Soluble in: | |
| alcohol | |
| water, 480.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Apple Flavor & Fragrance |
| Ethyl 3-Hexenoate |
| Bedoukian Research |
| ETHYL 3-HEXENOATE, NO ANTIOXIDANT ≥96.0%, Special Order Odor: sour green, slightly cheesy Use: Lends a pleasant tropical note to fruity compositions. Flavor: Sharp, acidic fruity green Very useful in apple, pineapple, guava and most other tropical flavors. Good for heavy honey flavors. |
| Bedoukian Research |
| ETHYL 3-HEXENOATE ≥96.0%, Kosher Odor: sour green, slightly cheesy Use: Lends a pleasant tropical note to fruity compositions. Flavor: Sharp, acidic fruity green Very useful in apple, pineapple, guava and most other tropical flavors. Good for heavy honey flavors. |
| Beijing Lys Chemicals |
| Ethyl-trans-3-hexenoate |
| BOC Sciences |
| For experimental / research use only. |
| ETHYL 3-HEXENOATE 97.0% |
| Grau Aromatics |
| ETHYL-3-HEXENOATE (93+% trans) NI, Kosher |
| Nagar Haveli Perfumes & Aromatics |
| Ethyl-3-Hexenoate Odor: Sweet, fruity, pineapple, green and metallic, with a fresh topnote |
| Penta International |
| ETHYL TRANS-3-HEXENOATE |
| Shanghai Vigen Fine Chemical |
| Ethyl trans-3-Hexenoate |
| Sigma-Aldrich |
| Ethyl trans-3-hexenoate, ≥98%, FG Odor: pineapple |
| Certified Food Grade Products |
| SRS Aromatics |
| ETHYL HEX-3-ENOATE |
| Tianjin Danjun International |
| Ethyl-trans-3-hexenoate |
| WholeChem |
| Ethyl-trans-3-hexenoate |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24 - Avoid contact with skin. S 36 - Wear suitable protective clothing. | |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for ethyl 3-hexenoate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.20 (μg/capita/day) | ||
| 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: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 4.00000 | |
| beverages(nonalcoholic): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 2.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 2.00000 | |
| 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: | - | - | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
| Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
| Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):2396-83-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61312 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:3 |
| ethyl hex-3-enoate |
| Chemidplus:0002396830 |
| ethyl hex-3-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2396-83-0 |
| Pubchem (cid): | 61312 |
| Pubchem (sid): | 135017587 |
| Pherobase: | View |
| (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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32266 |
| FooDB: | FDB020377 |
| YMDB (Yeast Metabolome Database): | YMDB01357 |
| Export Tariff Code: | 2916.19.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| ethyl 3-hexenoate, no antioxidant | |
| ethyl hex-3-enoate | |
| ethyl hydrosorbate | |
| ethyl-3-hexenoate | |
| hex-3-enoic acid ethyl ester | |
| 3- | hexenoic acid ethyl ester |
| 3- | hexenoic acid, ethyl ester |
| None found yet. Try the PubMed Search. |
