| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 53398-80-4 |
| ECHA EC Number: | 258-513-2 |
| FDA UNII: | F3851R4663 |
| CoE Number: | 11830 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | (E)-2-hexen-1-yl propionate |
| InChI : | InChI=1/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+ |
| Std.InChI: | InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+ |
| InChIKey : | LPWKTEHEFDVAQS-VOTSOKGWBN |
| Std.InChIKey: | LPWKTEHEFDVAQS-VOTSOKGWSA-N |
| SMILES : | CCC/C=C/COC(=O)CC |
| MDL: | MFCD00036545 |
| Molar Refractivity : | 45.57 ± 0.3 cm3 (est) |
| Parachor : | 402.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.436 ± 0.02 (est) |
| Surface Tension : | 28.4 ± 3.0 dyne/cm (est) |
| Density : | 0.896 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.06 ± 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: | 1378 trans-2-hexenyl propionate |
| DG SANTE Food Flavourings: | 09.395 (E)-hex-2-enyl propionate |
| FEMA Number: | 3932 trans-2-hexenyl propionate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 53398-80-4 ; (E)-2-HEXENYL PROPIONATE |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Bedoukian Research |
| trans-2-HEXEN-1-YL PROPIONATE ≥95.0%, Kosher Odor: Powerful fruity, ripe apple/pear note Use: Can be used to lend a fruity, non-fatty topnote. Flavor: green Can be used in tutti-frutti, apple, pear and banana flavors. |
| BOC Sciences |
| For experimental / research use only. |
| trans-2-HEXENYL PROPIONATE 95.0% |
| CJ Latta & Associates |
| TRANS-2-HEXENYL PROPIONATE |
| Inoue Perfumery |
| TRANS-2-HEXENYL PROPIONATE |
| Lluch Essence |
| TRANS-2-HEXENYL PROPIONATE |
| M&U International |
| Trans-2-Hexenyl Propionate |
| Parchem |
| (E)-2-hexen-1-yl propionate |
| Penta International |
| TRANS-2-HEXENYL PROPIONATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| trans-2-Hexen-1-yl Propionate >95.0%(gc) |
| TCI AMERICA |
| For experimental / research use only. |
| trans-2-Hexen-1-yl Propionate >95.0%(GC) |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 807, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 807, 1979. | |
| 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 (E)-2-hexen-1-yl propionate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.078 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 4.00 (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: 19 | |||
| Click here to view publication 19 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 7.00000 | 11.00000 | |
| beverages(nonalcoholic): | 2.50000 | 4.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 4.00000 | 7.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 5.00000 | 7.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 8.00000 | 9.00000 | |
| 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: | 6.00000 | 9.00000 | |
| soups: | - | - | |
| 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): | 2.00000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | 2.00000 | 2.00000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 1.10000 | 1.10000 | |
| Confectionery (05.0): | 1.80000 | 1.80000 | |
| Chewing gum (05.3): | 0.22000 | 0.22000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 3.70000 | 6.40000 | |
| Bakery wares (07.0): | 1.20000 | 1.20000 | |
| Meat and meat products, including poultry and game (08.0): | - | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | 1.00000 | 1.00000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 1.30000 | 1.30000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 3.50000 | 5.60000 | |
| 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): | - | - | |
| 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,�-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,�-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 |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):53398-80-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5352463 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [(E)-hex-2-enyl] propanoate |
| Chemidplus:0053398804 |
| RTECS:MP8645000 for cas# 53398-80-4 |
| [(E)-hex-2-enyl] propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 53398-80-4 |
| Pubchem (cid): | 5352463 |
| Pubchem (sid): | 135003150 |
| (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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB38272 |
| FooDB: | FDB017570 |
| Export Tariff Code: | 2915.50.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| (2E)- | hex-2-en-1-yl propanoate |
| (2E)- | hex-2-en-1-yl propionate |
| (E)- | hex-2-enyl propionate |
| [(E)- | hex-2-enyl] propanoate |
| hex-2(trans)-enyl propionate | |
| (2E)-2- | hexen-1-ol propanoate |
| (E)-2- | hexen-1-ol propanoate |
| 2- | hexen-1-ol, propanoate, (2E)- |
| 2- | hexen-1-ol, propanoate, (E)- |
| (E)-2- | hexen-1-yl propionate |
| trans-2- | hexen-1-yl propionate |
| (E)-2- | hexenyl propionate |
| trans-2- | hexenyl propionate |
| (E)- | propanoic acid 2-hexen-1-yl ester |
| propionic acid trans-2-hexen-1-yl ester | |
| propionic acid trans-hex-2-en-1-yl ester |
| None found yet. Try the PubMed Search. |
