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(E)-2-hexenyl formate
Notes:
Blends well with cinnamates. Flavouring ingredient
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 53398-78-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 258-512-7 | |
| FDA UNII: | 9FKH3Z2E3A | |
| Nikkaji Web: | J118.130K | |
| CoE Number: | 11858 | |
| XlogP3-AA: | 2.00 (est) | |
| Molecular Weight: | 128.17104000 | |
| Formula: | C7 H12 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | The chemical name should be changed to Hex-(2E)-enyl formate, in accordance with the CAS number and the specifcations provided (Documentation provided to EFSA nr: 1) 95% (2E)-isomer | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| 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: | 1376 (E)-2-hexenyl formate |
| DG SANTE Food Flavourings: | 09.397 (E)-hex-2-enyl formate |
| FEMA Number: | 3927 (E)-2-hexenyl formate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 53398-78-0 ; (E)-2-HEXENYL FORMATE |
Physical Properties:
Organoleptic Properties:
| Odor Type: green | |
| fruity green rummy | |
| Odor Description: at 10.00 % in dipropylene glycol. | fruity green rum |
| Flavor Type: rummy | |
| rummy | |
| Taste Description: | rum |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| trans-2-HEXENYL FORMATE ≥93.0%, Kosher | |
| Odor Description: | Slightly fruity, diffusive, rum-like odor with a green finish Blends well with cinnamates and can be used as a sweet topnote for herbaceous fragrances. |
| Taste Description: | rum Finds use in honey, butterscotch, butter rum and ripe banana |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| (E)-2-Hexen-1-ol formate |
| Parchem |
| (E)-2-hexen-1-yl formate |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| 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 24/25 - 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 - 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 | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (E)-2-hexen-1-yl formate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 7.00 (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: | 0.50000 | 1.00000 | |
| 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: | 0.50000 | 1.00000 | |
| 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): | 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 (05.0): | 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf | |
| 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 | |
| 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 |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 53398-78-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5352972 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1993 |
| WGK Germany: | 2 |
| [(E)-hex-2-enyl] formate | |
| Chemidplus: | 0053398780 |
References:
| [(E)-hex-2-enyl] formate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5352972 |
| Pubchem (sid): | 135061333 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB38271 |
| FooDB: | FDB017569 |
| Export Tariff Code: | 2915.13.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| banana | FR | |
| butter rum | FL | |
| butterscotch | FR | |
| fruit | FR | |
| herbal | FR | |
| honey | FR | |
| spice | FR |
Occurrence (nature, food, other): note
| tea black tea Search Trop Picture |
Synonyms:
| (2E)- | hex-2-en-1-yl formate |
| (E)- | hex-2-enyl formate |
| [(E)- | hex-2-enyl] formate |
| 2- | hexen-1-ol, formate, (2E)- |
| 2- | hexen-1-yl formate |
| trans-2- | hexen-1-yl formate |
| (E)-2- | hexenyl formate |
| (Z)-2- | hexenyl formate |
| trans-2- | hexenyl formate |