4-octen-3-one
oct-4-en-3-one

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  14129-48-7 Oct-4-en-3-one

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Name: oct-4-en-3-one CAS Number: 14129-48-7 3D/inchi FDA UNII: 5Q55OU7FEN XlogP3-AA: 2.20 (est) Molecular Weight: 126.19878000 Formula: C8 H14 O NMR Predictor: Predict (works with chrome, Edge or firefox) 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: 1843 (E,Z)-4-octen-3-one FEMA Number: 4328 4-octen-3-one FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 14129-48-7 ; 4-OCTEN-3-ONE   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.84000 to 0.84400 @ 25.00 °C. Pounds per Gallon - (est).: 6.990 to 7.023 Refractive Index: 1.44200 to 1.44800 @ 20.00 °C. Boiling Point: 180.00 to 181.00 °C. @ 760.00 mm Hg Boiling Point: 77.00 to 79.00 °C. @ 20.00 mm Hg Vapor Pressure: 0.897000 mmHg @ 25.00 °C. (est) Flash Point: 152.00 °F. TCC ( 66.67 °C. ) logP (o/w): 2.179 (est) Soluble in:   alcohol   water, 1045 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: coconut coconut fruity Odor Description:at 1.00 % in dipropylene glycol. coconut fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. 4-Octen-3-one BOC Sciences For experimental / research use only. Oct-4-en-3-one Parchem 4-octen-3-one 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 4-octen-3-one usage levels up to:   not for fragrance use.   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: 23 Click here to view publication 23   average usual ppm average maximum ppm baked goods: 1.00000 5.00000 beverages(nonalcoholic): 1.00000 5.00000 beverages(alcoholic): 2.00000 10.00000 breakfast cereal: 1.00000 5.00000 cheese: - - chewing gum: 2.00000 20.00000 condiments / relishes: 1.00000 5.00000 confectionery froastings: 1.00000 5.00000 egg products: - - fats / oils: - - fish products: - - frozen dairy: 1.00000 5.00000 fruit ices: 1.00000 5.00000 gelatins / puddings: 1.00000 5.00000 granulated sugar: - - gravies: - - hard candy: 2.00000 10.00000 imitation dairy: - - instant coffee / tea: 2.00000 20.00000 jams / jellies: 1.00000 5.00000 meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: 1.00000 5.00000 processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 100.00000 1000.00000 snack foods: 1.00000 5.00000 soft candy: 1.00000 5.00000 soups: - - sugar substitutes: - - sweet sauces: 1.00000 5.00000   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):14129-48-7 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :84216 National Institute of Allergy and Infectious Diseases:Data oct-4-en-3-one Chemidplus:0014129487   References:   oct-4-en-3-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 84216 Pubchem (sid): 135039812   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): HMDB32451 FooDB: FDB009961 Typical G.C. VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor animal costus valerolactone FR cheesy 2- heptanone FL/FR coconut coconut decanone methyl FR coconut naphthalenone FL/FR delta- decalactone FL/FR delta-2- dodecenolactone FL/FR delta- heptalactone FL/FR gamma- heptalactone FL/FR hexahydrocoumarin CS delta- nonalactone FL/FR gamma- nonalactone (aldehyde C-18 (so-called)) FL/FR delta- octalactone FL/FR gamma- octalactone FL/FR propyl octanoate FL/FR tetrahydrojasmone FR delta- undecalactone FL/FR wine lactone FL/FR coumarinic phthalide FL/FR creamy creamy lactone FL/FR fatty lauric acid FL/FR floral dihydrojasmone lactone FL/FR heliotropin FL/FR hexenyl cyclopentanone FR jasmin lactone (IFF) FL/FR 2- pentyl cyclopentanone FR fruity amyl heptanoate FL/FR iso amyl octanoate FL/FR gamma- decalactone FL/FR 4- hydroxybenzyl alcohol FL/FR methyl (Z)-5-octenoate FL/FR iso propyl octanoate FL/FR green alpha- decalactone FL/FR soapy ethyl undecanoate FL/FR spicy methyl heptadienone FL/FR tonka 6- amyl-alpha-pyrone FL/FR gamma- hexalactone FL/FR 7- methyl coumarin CS mint lactone FL/FR whiskey lactone FL/FR tropical delta- dodecalactone FL/FR glyceryl 5-hydroxydecanoate FL/FR glyceryl 5-hydroxydodecanoate FL/FR waxy 1- dodecanol FL/FR methyl laurate FL/FR myristyl alcohol FL/FR 2- tridecanone FL/FR undecanoic acid FL/FR For Flavor No flavor group found for these coconut naphthalenone FL/FR alpha- decalactone FL/FR dimethyl benzofuranone FL delta-2- dodecenolactone FL/FR jasmin lactone (IFF) FL/FR lauric acid FL/FR myristyl alcohol FL/FR propyl octanoate FL/FR (R)- tonka furanone FL wine lactone FL/FR cheesy cheesy 2- heptanone FL/FR cherry heliotropin FL/FR coconut delta- decalactone FL/FR (R)- massoia lactone FL 6- methyl coumarin FL gamma- nonalactone (aldehyde C-18 (so-called)) FL/FR delta- octalactone FL/FR coumarinic phthalide FL/FR creamy 6- amyl-alpha-pyrone FL/FR creamy lactone FL/FR 5,5- dibutyl dihydrofuran-2(3H)-one FL delta- dodecalactone FL/FR glyceryl 5-hydroxydecanoate FL/FR glyceryl 5-hydroxydodecanoate FL/FR gamma- hexalactone FL/FR mint lactone FL/FR delta- nonalactone FL/FR delta- undecalactone FL/FR dairy methyl (Z)-5-octenoate FL/FR fatty 2- tridecanone FL/FR fruity amyl heptanoate FL/FR iso amyl octanoate FL/FR gamma- decalactone FL/FR 4- hydroxybenzyl alcohol FL/FR iso propyl octanoate FL/FR green methyl heptadienone FL/FR herbal massoia bark oil FL lactonic gamma- heptalactone FL/FR delta- heptalactone FL/FR gamma- octalactone FL/FR soapy 1- dodecanol FL/FR waxy dihydrojasmone lactone FL/FR ethyl undecanoate FL/FR methyl laurate FL/FR undecanoic acid FL/FR woody whiskey lactone FL/FR   Potential Uses: FL coconut FR coconut tropical coconut FR deertongue absolute replacer FL fig FR flouve FR flouve blossom FR green grass FR hay new mown hay FL/FR immortelle   leaf autumn leaf FL pina colada   straw FR tobacco FR tobacco FR tobacco flower FR tonka bean   wet fields   Occurrence (nature, food, other):note   melissa oil slovak republic @ 0.18% Data GC Search Trop Picture   Synonyms:   oct-4-en-3-one (E,Z)-4- octen-3-one   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]