Articles:
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hexylenic aldehyde
Notes:
product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal. Constit. of many foods. 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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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 08-26001 2-HEXENAL
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| CAS Number: | 505-57-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 208-014-0 | |
| Beilstein Number: | 1740988 | |
| MDL: | MFCD00007008 | |
| CoE Number: | 748 | |
| XlogP3-AA: | 1.50 (est) | |
| Molecular Weight: | 98.14490000 | |
| Formula: | C6 H10 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (E)-2-hexenal | |
| (Z)-2-hexenal | ||
| 2-hexenoic acid | ||
| EFSA/JECFA Comments: | At least 92%; secondary component 3-4% 2-hexenoic acid. (EFSA) | |
Category: flavoring 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 |
| DG SANTE Food Flavourings: | 05.189 2-hexenal |
| FEMA Number: | 2560 2-hexenal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 505-57-7 ; 2-HEXENAL |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 92.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.83800 to 0.84800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.973 to 7.056 |
| Refractive Index: | 1.43600 to 1.44600 @ 20.00 °C. |
| Boiling Point: | 47.00 °C. @ 17.00 mm Hg |
| Boiling Point: | 146.00 to 147.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 4.624000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 3.4 ( Air = 1 ) |
| Flash Point: | 101.00 °F. TCC ( 38.33 °C. ) |
| logP (o/w): | 1.790 (est) |
| Soluble in: | |
| alcohol | |
| water, 5261 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: green | |
| sweet almond bitter almond fruity green leafy apple plum vegetable | |
| Odor Description: at 100.00 %. | sweet almond fruity green leafy apple plum vegetable |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| 2-hexenal |
| Penta International |
| 2-HEXENAL |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| 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: | |
|
intraperitoneal-mouse LD50 290 mg/kg Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for 2-hexenal usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.22 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 409.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 2000 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 16.00000 | |
| beverages(nonalcoholic): | - | 3.10000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.70000 | |
| fruit ices: | - | 0.70000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 15.00000 | |
| 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: | - | - | |
| 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): | 0.90000 | 2.98000 | |
| 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): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 4.80000 | 11.55000 | |
| Bakery wares (07.0): | 8.00000 | 19.07000 | |
| 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): | 0.90000 | 2.98000 | |
| Eggs and egg products (10.0): | 0.90000 | 2.98000 | |
| Sweeteners, including honey (11.0): | 0.90000 | 2.98000 | |
| 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): | 0.90000 | 2.98000 | |
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 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15 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): | 505-57-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 10460 |
| National Institute of Allergy and Infectious Diseases: | Data |
| hex-2-enal | |
| Chemidplus: | 0000505577 |
| RTECS: | MP5900000 for cas# 505-57-7 |
References:
| hex-2-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 505-57-7 |
| Pubchem (cid): | 10460 |
| Pubchem (sid): | 134976298 |
| Flavornet: | 505-57-7 |
| Pherobase: | View |
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 |
| Metabolomics Database: | Search |
| HMDB (The Human Metabolome Database): | HMDB31496 |
| FooDB: | FDB008081 |
| YMDB (Yeast Metabolome Database): | YMDB01655 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| almond | FL | |
| fern | FR | |
| fruit | FR | |
| green | FL | |
| hawthorn | FR | |
| nut | FL |
Occurrence (nature, food, other): note
| apple plant Search Trop Picture | |
| burdock root Search Trop Picture | |
| clary sage oil greece @ 0.15% Data GC Search Trop Picture | |
| cucumber fruit Search Trop Picture | |
| currant black currant fruit Search Trop Picture | |
| elder black elder flower oil Search Trop Picture | |
| elder black elder leaf oil Search Trop Picture | |
| ginkgo biloba plant Search Trop Picture | |
| lavandin oil grosso @ trace% Data GC Search Trop Picture | |
| oregano shoot Search Trop Picture | |
| soybean plant Search Trop Picture | |
| tagete flower oil rwanda @ trace% Data GC Search Trop Picture | |
| tagete oil rwanda @ 0.03% Data GC Search Trop Picture | |
| violet leaf absolute @ 1.30% Data GC Search Trop Picture | |
| walnut english walnut leaf Search Trop Picture |
Synonyms:
| hex-2-en-1-al | |
| hex-2-enal | |
| (Z+E)-2- | hexen-1-al |
| 2- | hexen-1-al |
| hexen-2-en-1-al | |
| alpha,beta- | hexylenaldehyde |
| hexylenic aldehyde | |
| leaf aldehyde | |
| 3- | propyl acrolein |
| beta- | propyl acrolein |
| 3- | propyl-acrolein |