(E)-4-hexenal
trans-4-hexenal

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  25166-87-4 4-Hexenal,(4E)-

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Name: (E)-hex-4-enal CAS Number: 25166-87-4 3D/inchi % from: 76.00% FDA UNII: K2X217GIZQ Nikkaji Web: J981.291A XlogP3-AA: 1.00 (est) Molecular Weight: 98.14490000 Formula: C6 H10 O NMR Predictor: Predict (works with chrome, Edge or firefox) Also(can) Contains: (Z)-4-hexenal 16.00% to 20.00%   3-hexen-1-ol 2.00% to 4.00%   hexanal (aldehyde C-6) 1.00% to 2.00% EFSA/JECFA Comments: (Flavour Industry, 2007l). Contains 76.2 % trans-4-hexenal, 15.9 % cis-4-hexenal, 2.2 % 3-hexenol-1-ol and 1 % hexanal. 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: 1622 trans-4-hexenal DG SANTE Food Flavourings: 05.224 (4E)-hexenal FEMA Number: 4046 trans-4-hexenal FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 25166-87-4 ; TRANS-4-HEXENAL   Physical Properties: Appearance: colorless clear liquid (est) Assay: 92.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.82400 to 0.83200 @ 25.00 °C. Pounds per Gallon - (est).: 6.857 to 6.923 Refractive Index: 1.41700 to 1.42400 @ 20.00 °C. Boiling Point: 125.00 to 129.00 °C. @ 760.00 mm Hg Vapor Pressure: 11.264000 mmHg @ 25.00 °C. (est) Flash Point: 64.00 °F. TCC ( 17.78 °C. ) logP (o/w): 1.471 (est) Soluble in:   alcohol   water, 5261 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: green green vegetable Odor Description:at 1.00 % in dipropylene glycol. green vegetable Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 4-Hexenal,(4E)- Parchem (E)-4-hexen-1-al Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   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 (E)-4-hexenal usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (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: 21 Click here to view publication 21   average usual ppm average maximum ppm baked goods: 0.00800 0.10000 beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 0.00800 0.10000 imitation dairy: - - instant coffee / tea: - - jams / jellies: 0.01000 0.20000 meat products: - - milk products: - - nut products: - - other grains: - - poultry: 0.01000 0.10000 processed fruits: - - processed vegetables: 0.00800 0.10000 reconstituted vegetables: 0.00800 0.10000 seasonings / flavors: - - snack foods: 0.01000 0.20000 soft candy: - - soups: 0.00800 0.05000 sugar substitutes: - - sweet sauces: - -   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 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008) View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5283308 National Institute of Allergy and Infectious Diseases:Data (E)-hex-4-enal Chemidplus:0025166874   References:   (E)-hex-4-enal NIST Chemistry WebBook: Search Inchi Pubchem (cid): 5283308 Pubchem (sid): 135121453   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): HMDB33549 FooDB: FDB011613 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor fruity tropical thiazole FL/FR green (Z)-4- heptenal FL/FR (Z)-3- hexen-1-yl (E)-crotonate FL/FR 4- hexenol FL/FR 2- octen-1-ol FL/FR 1- penten-3-ol FL/FR melon (Z)-6- nonen-1-ol FL/FR minty iso propyl tiglate FL/FR sulfurous grapefruit menthane FL/FR 3-( methyl thio) hexanol FL/FR For Flavor No flavor group found for these 2- ethyl-4,5-dimethyl oxazole FL (Z)-3- hexen-1-yl (E)-crotonate FL/FR 2- methyl thiazole FL 4-( methyl thio) butanol FL 2-iso propyl-3-(methyl thio) pyrazine FL alliaceous alliaceous 3- tetrahydrothiophenone FL tropical thiazole FL/FR fatty 2- octen-1-ol FL/FR green dihydroxyacetophenone (mixed isomers) FL (Z)-4- heptenal FL/FR (E)-2- heptenal FL 3-(5- methyl-2-furyl) butanal FL 2,4- octadienal FL 1- penten-3-ol FL/FR 2- propyl pyrazine FL iso propyl tiglate FL/FR propylene glycol acetone ketal FL metallic 4- hexenol FL/FR 3-( methyl thio) hexanol FL/FR sulfurous grapefruit menthane FL/FR methyl benzyl disulfide FL waxy (Z)-6- nonen-1-ol FL/FR   Potential Uses: FL green   Occurrence (nature, food, other):note   found in nature   Synonyms: (E)- hex-4-en-1-al (4E)- hex-4-enal (E)- hex-4-enal trans- hex-4-enal (E)-4- hexen-1-al (4E)- hexenal trans-4- hexenal 4- hexenal, (4E)-   Articles:   None found yet. 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Notes: Used as a food additive [EAFUS]