acetaldehyde 1,3-octane diol acetal
2-methyl-4-pentyl-1,3-dioxane

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Name: 2-methyl-4-pentyl-1,3-dioxane CAS Number: 202188-43-0 3D/inchi FDA UNII: V0W9UH6J00 Nikkaji Web: J1.311.794B XlogP3-AA: 3.00 (est) Molecular Weight: 172.26780000 Formula: C10 H20 O2 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: 1749 acetaldehyde 1,3-octanediol acetal FEMA Number: 4376 acetaldehyde 1,3-octanediol acetal FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 202188-43-0 ; ACETALDEHYDE 1,3-OCTANEDIOL ACETAL   Physical Properties: Appearance: colorless clear liquid (est) Assay: 96.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.90000 to 0.90600 @ 25.00 °C. Pounds per Gallon - (est).: 7.489 to 7.539 Refractive Index: 1.42900 to 1.43300 @ 20.00 °C. Boiling Point: 219.00 to 220.00 °C. @ 760.00 mm Hg Acid Value: 1.00 max. KOH/g Vapor Pressure: 0.333000 mmHg @ 25.00 °C. (est) Flash Point: 74.79 °F. TCC ( 23.77 °C. ) (est) logP (o/w): 2.858 (est) Soluble in:   alcohol   water, 169.9 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: green green ethereal musty Odor Description:at 10.00 % in dipropylene glycol. green ethereal musty Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Parchem acetaldehyde 1,3-octane diol acetal 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 acetaldehyde 1,3-octane diol acetal 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: - - beverages(nonalcoholic): 0.20000 1.00000 beverages(alcoholic): 0.40000 2.00000 breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: 0.50000 2.50000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 1.00000 5.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: 0.50000 2.50000 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: - -   Safety References: 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 :11105826 National Institute of Allergy and Infectious Diseases:Data 2-methyl-4-pentyl-1,3-dioxane Chemidplus:0202188430   References:   2-methyl-4-pentyl-1,3-dioxane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 11105826 Pubchem (sid): 42160746   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): HMDB32155 FooDB: FDB008884 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor balsamic iso amyl benzoate FL/FR citrus 2- heptanol FL/FR ethereal acetal FL/FR acetaldehyde dimethyl acetal FL/FR cyclohexyl formate FL/FR ethyl 4-pentenoate FL/FR ethyl formate FL/FR 1- hexen-3-ol FL/FR 2- methyl valeraldehyde FL/FR propyl formate FL/FR fatty methyl (E)-2-hexenoate FL/FR floral boronia absolute FL/FR fruity acetaldehyde dihexyl acetal FL/FR acetaldehyde diisoamyl acetal FL/FR allyl amyl glycolate FR allyl butyrate FL/FR iso amyl butyrate FL/FR iso amyl isovalerate FL/FR iso amyl octanoate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cyclohexyl acetate FL/FR 2- cyclopentyl cyclopentanone FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl 2-cyclohexyl propionate FR ethyl 2-octenoate FL/FR ethyl 3-acetoxyhexanoate FL/FR ethyl 3,5,5-trimethyl hexanoate FR ethyl acetoacetate FL/FR heptanal cyclic ethylene acetal FR 2- hexen-1-ol FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl (E)-tiglate FL/FR hexyl acetate FL/FR methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR methyl heptanoate FL/FR nerolidyl isobutyrate FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR 2- pentyl furan FL/FR pineapple pentenoate FL/FR prenol FL/FR prenyl ethyl ether FL/FR prenyl hexanoate FL/FR iso propyl 2-methyl butyrate FL/FR rhubarb undecane FR tetrahydrofurfuryl butyrate FL/FR tropical indene FR tropical thiazole FL/FR green iso amyl formate FL/FR cognac heptanone FL/FR alpha- decalactone FL/FR (E)-2- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR hexyl octanoate FL/FR manzanate (Givaudan) FL/FR phenoxyethyl isobutyrate FL/FR propylene acetal FL/FR tiglaldehyde FL/FR violet dienyne FR tropical beta- cyclocitral FL/FR waxy octyl 2-methyl butyrate FL/FR woody verdoxan FR For Flavor No flavor group found for these acetaldehyde diisoamyl acetal FL/FR acetyl acetaldehyde dimethyl acetal FL 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR ethyl 3-acetoxyhexanoate FL/FR ethyl 4-pentenoate FL/FR 2- hexenal FL 2- hexenal diethyl acetal FL hexyl (E)-2-hexenoate FL methyl (E)-2-hexenoate FL/FR (E)-2- methyl-2-octenal FL 2- methyl-2-octenal FL 3- methyl-3-pentanol FL (E,E)-3,5- octadien-2-one FL prenyl ethyl ether FL/FR prenyl hexanoate FL/FR propylene acetal FL/FR alliaceous alliaceous tropical thiazole FL/FR citrus cognac heptanone FL/FR cooling manzanate (Givaudan) FL/FR estery ethyl acetoacetate FL/FR ethereal acetaldehyde dimethyl acetal FL/FR ethyl formate FL/FR fruity iso amyl benzoate FL/FR iso amyl octanoate FL/FR boronia absolute FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-octenoate FL ethyl 2-octenoate FL/FR furfuryl propionate FL 2- heptanol FL/FR 2- hexen-1-ol FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl acetate FL/FR methyl (E)-3-nonenoate FL methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR methyl heptanoate FL/FR octen-1-yl cyclopentanone FL/FR pineapple pentenoate FL/FR prenol FL/FR iso propyl 2-methyl butyrate FL/FR propyl formate FL/FR tetrahydrofurfuryl butyrate FL/FR tiglaldehyde FL/FR green acetaldehyde dihexyl acetal FL/FR allyl butyrate FL/FR iso amyl formate FL/FR iso amyl isovalerate FL/FR cyclohexyl formate FL/FR 2- ethyl butyraldehyde FL (E)-2- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR 1- hexen-3-ol FL/FR (E)-2- hexenal diethyl acetal FL hexyl (E)-tiglate FL/FR hexyl octanoate FL/FR methyl 2-undecynoate FL 2- pentyl furan FL/FR phenoxyethyl isobutyrate FL/FR nutty acetal FL/FR rummy (E)-2- hexen-1-yl formate FL/FR solvent cyclohexyl acetate FL/FR tropical beta- cyclocitral FL/FR vegetable 2- methyl valeraldehyde FL/FR waxy iso amyl butyrate FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR   Potential Uses: FL absinthe FR agrumen aldehyde FR algae FR amaryllis FL apple green apple FL artichoke FL/FR asafoetida FL asparagus FL avocado FR basil oil replacer FR boxwood FR boxwood blossom FR boxwood berry FL/FR cajeput FL carrot FL/FR carrot seed FR cassie FR celery FR chamomile FL/FR cilantro FR clary sage oil replacer FR clematis FL cognac FR cortex FR costus FL cucumber FL/FR currant bud absolute replacer FR daffodil FL/FR dill weed FR elemi FR evergreen FR fennel FR fern FL fig   fir FR fir balsam FR foliage FR galbanum FR geranium FL/FR geranium rose   grass FL green FR green grass FR green leaf FL guava FR hop FR hyacinth FR hydrangea FR ivy FR jonquil   leaf FL lettuce   liverwort FR lotus FL/FR marjoram FL mimosa FR narcissus FR oregano FR pansy FL/FR parsley leaf FL pea green pea FL pear prickly pear FL pepper bell pepper FL/FR pine scotch pine FR privet FR privet blossom FR reseda FR rhubarb FL root beer FL/FR rose leaf   stem   strawberry leaf FL tomato FR tomato leaf FL/FR valerian FL vegetable   vegetation tropical hothouse vegetation   vine FR violet leaf   weedy FL wintergreen FR wormwood oil replacer FR yew   Occurrence (nature, food, other):note   cider Search PMC Picture   Synonyms:   acetaldehyde 1,3-octanediol acetal (+/-)- acetaldehyde 1,3-octanediol acetal 1,3- dioxane, 2-methyl-4-pentyl- 2- methyl-4-pentyl-1,3-dioxane   Articles: PubMed:Novel 1,3-dioxanes from apple juice and cider

Notes: Used as a food additive [EAFUS]