2-butyl-2-butenal
hexanal, 2-ethylidene-

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Name: 2-ethylidenehexanal CAS Number: 25409-08-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 246-950-1 FDA UNII: Search CoE Number: 10324 XlogP3-AA: 2.40 (est) Molecular Weight: 126.19878000 Formula: C8 H14 O NMR Predictor: Predict (works with chrome, Edge or firefox) Name: (2E)-2-ethylidenehexanal CAS Number: 87745-65-1 3D/inchi FDA UNII: C09PCM2QXX XlogP3-AA: 2.40 (est) Molecular Weight: 126.19878000 Formula: C8 H14 O NMR Predictor: Predict (works with chrome, Edge or firefox) Name: (2Z)-2-ethylidenehexanal CAS Number: 25409-08-9 (Z) 3D/inchi FDA UNII: Search Nikkaji Web: J250.452I XlogP3-AA: 2.40 (est) Molecular Weight: 126.19878000 Formula: C8 H14 O NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: The chemical name should be changed to 2-butylbut-(2E)-enal and the CAS number to 87745-65-1, according to the specifcations provided (Documentation provided to EFSA nr: 1) 90% (E)-isomer 5% (Z)-isomer 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 JECFA Food Flavoring: 1214 2-butyl-2-butenal DG SANTE Food Flavourings: 05.105 2-butylbut-2-enal FEMA Number: 3392 2-butyl-2-butenal FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 25409-08-9 ; 2-BUTYL-2-BUTENAL   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.44900 to 1.45900 @ 20.00 °C. Pounds per Gallon - (est).: 12.071 to 12.154 Refractive Index: 1.44700 to 1.45300 @ 20.00 °C. Boiling Point: 50.00 °C. @ 13.50 mm Hg Boiling Point: 182.00 to 183.00 °C. @ 760.00 mm Hg (est) Acid Value: 2.00 max. KOH/g Vapor Pressure: 0.805000 mmHg @ 25.00 °C. (est) Flash Point: 124.00 °F. TCC ( 50.90 °C. ) (est) logP (o/w): 2.718 (est) Soluble in:   alcohol   water, 548.6 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: roasted cooked roasted Odor Description:at 10.00 % in dipropylene glycol. cooked roasted Flavor Type: nutty sweet nutty roasted Taste Description: sweet nutty Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Parchem 2-butyl-2-butenal   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: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for 2-butyl-2-butenal usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.02 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1700 (μg/person/day) Threshold of Concern: 90 (μg/person/day) Structure Class: III 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: 7 Click here to view publication 7   average usual ppm average maximum ppm baked goods: - 2.00000 beverages(nonalcoholic): - 0.50000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 0.60000 fruit ices: - 0.60000 gelatins / puddings: - 1.50000 granulated sugar: - - gravies: - - hard candy: - 1.50000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - 0.60000 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): 5.03000 11.86000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.50000 4.00000 Edible ices, including sherbet and sorbet (03.0): 0.50000 2.75000 Processed fruit (04.1): - - Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 4.78000 5.00000 Confectionery (05.0): 5.00000 14.22000 Chewing gum (05.3): 2.20000 9.56000 Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 3.79000 11.40000 Bakery wares (07.0): 6.20000 17.17000 Meat and meat products, including poultry and game (08.0): 0.79000 3.50000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.50000 1.75000 Eggs and egg products (10.0): 0.01000 3.00000 Sweeteners, including honey (11.0): 0.51000 4.38000 Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 1.75000 5.00000 Foodstuffs intended for particular nutritional uses (13.0): 0.01000 5.01000 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): 2.00000 3.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.50000 0.50000   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): Flavouring Group Evaluation 201: 2-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.2 of FGE.19[1] View page or View pdf Scientific Opinion on Flavouring Group Evaluation 201 Revision 1 (FGE.201Rev1): 2-Alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19. View page or View pdf Scientific Opinion on Flavouring Group Evaluation 201 Revision 2 (FGE.201Rev2): 2-alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances 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):25409-08-9 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :53424302 National Institute of Allergy and Infectious Diseases:Data 2-ethylidenehexanal Chemidplus:0025409089 (2E)-2-ethylidenehexanal Chemidplus:0087745651 (2Z)-2-ethylidenehexanal   References:   2-ethylidenehexanal NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 25409-08-9 Pubchem (cid): 53424302 Pubchem (sid): 134383811   (2E)-2-ethylidenehexanal NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 87745-65-1 Pubchem (cid): 5463946 Pubchem (sid): 36751037   (2Z)-2-ethylidenehexanal NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 25409-08-9 Pubchem (cid): 6540477 Pubchem (sid): 43185587   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): HMDB37152 FooDB: FDB016147 ChemSpider: View   Potential Blenders and core components note For Odor balsamic 2- acetyl furan FL/FR coffee coffea arabica seed extract FL/FR 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR earthy nutty pyrazine FL/FR nutty 3- acetyl pyridine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR filbert heptenone FL/FR 5- methyl quinoxaline FL/FR popcorn 2- acetyl pyrazine FL/FR roasted trigonella foenum-graecum seed oil CO2 extract FL/FR For Flavor No flavor group found for these 3,6- diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri FL 3-( ethyl thio) butanol FL (Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL (Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL 1-(3- hydroxy-5-methyl-2-thienyl) ethanone FL 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR 1- phenyl-3(5)-propyl pyrazole FL 3-iso propenyl pentane dioic acid FL thioacetic acid FL 5- acetyl-2,3-dihydro-1,4-thiazine FL S- allyl-laevo-cysteine FL (±)-3-( methyl thio) heptanal FL 3-( methyl thio) methyl thiophene FL 2- methyl-1-methyl thio-2-butene FL pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine FL burnt burnt 2- methyl quinoxaline FL cocoa chocolate enhancers FL coffee coffea arabica seed extract FL/FR earthy (±)-2- mercapto-5-methylheptan-4-one FL meaty propyl 2-mercaptopropionate FL nutty 2- acetyl furan FL/FR 3- acetyl pyridine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR arachis hypogaea fruit extract FL roasted chestnut flavor FL filbert heptenone FL/FR 5- methyl quinoxaline FL/FR nutty pyrazine FL/FR nutty thiazole FL sesame distillates FL popcorn 2- propionyl-2-thiazoline FL roasted 2- acetyl pyrazine FL/FR ethyl 3-(furfuryl thio) propionate FL lactoyl ethanolamine FL lactoyl ethanolamine phosphate FL trigonella foenum-graecum seed oil CO2 extract FL/FR sulfurous 2,4,6- trithiaheptane 10% in triacetin FL   Potential Uses: FL meat FL nut   Occurrence (nature, food, other):note   not found in nature   Synonyms: 2- butyl but-2-enal 2- butyl-2-buten-1-al 2- butylbut-2-enal (2Z)-2- ethylidene hexanal 2- ethylidene hexanal 2- ethylidenehexanal   hexanal, 2-ethylidene-   Articles:   None found yet. 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Notes: Flavouring ingredient, imparting sweet nutty flavour

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