isobutyraldehyde propylene glycol acetal
cis- and trans-2-isopropyl-4-methyl-1,3-dioxolane

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  BOC Sciences

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  CODE104436 CODE104436
  Product(s):
  67879-60-1 2-isoPropyl-4-methyl-1,3-dioxolane

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  Prodasynth

  PRODUCTEUR PAR ESSENCE
  Chemical specialist in manufacturing, distributing and sourcing of tailor-made ingredients for the Flavour & Fragrance industry.
  Today we are also proud to say, we have created an important range of Natural Molecules which can be found in our Raw Material Compendium. The versatility of our small but efficient structure is one of our main strengths when trying to fulfill our clients' requirements.
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  CODE104436 CODE104436
  Product(s):
  ISOBUTYRALDEHYDE PG ACETAL (SUM OF ISOMERS > 98%)

Name: 4-methyl-2-propan-2-yl-1,3-dioxolane CAS Number: 67879-60-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 267-550-3 FDA UNII: 5762LU30BD Nikkaji Web: J287.623J XlogP3-AA: 1.60 (est) Molecular Weight: 130.18698000 Formula: C7 H14 O2 BioActivity Summary: listing 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: 1713 isobutanal propyleneglycol acetal FEMA Number: 4287 cis- and trans-2-isopropyl-4-methyl-1,3-dioxolane FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 67879-60-1 ; CIS- AND TRANS-2-ISOPROPYL-4-METHYL-1,3-DIOXOLANE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 96.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.90300 to 0.90900 @ 25.00 °C. Pounds per Gallon - (est).: 7.514 to 7.564 Refractive Index: 1.40700 to 1.41200 @ 20.00 °C. Boiling Point: 142.00 to 143.00 °C. @ 760.00 mm Hg Acid Value: 1.00 max. KOH/g Vapor Pressure: 6.758000 mmHg @ 25.00 °C. (est) Flash Point: 103.00 °F. TCC ( 39.44 °C. ) logP (o/w): 1.481 (est) Soluble in:   alcohol   water, 5444 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note acetoin propylene glycol acetal anisaldehyde propylene glycol acetal benzaldehyde propylene glycol acetal butyraldehyde propylene glycol acetal cinnamaldehyde propylene glycol acetal citral propylene glycol acetal cyclamen aldehyde propylene glycol acetal decanal propylene glycol acetal ethyl vanillin propylene glycol acetal furfural propylene glycol acetal heliotropyl propylene glycol acetal hexanal propylene glycol acetal (E)-2-hexen-1-al propylene glycol acetal hydroxycitronellal propylene glycol acetal melon heptenal propylene glycol acetal 6-methyl-5-hepten-2-one propylene glycol acetal nonanal propylene glycol acetal 2-nonanone propylene glycol acetal octanal propylene glycol acetal perillaldehyde propylene glycol acetal phenyl acetaldehyde propylene glycol acetal para-tolualdehyde propylene glycol acetal undecanal propylene glycol acetal valeraldehyde propylene glycol acetal isovaleraldehyde propylene glycol acetal vanillin propylene glycol acetal   Organoleptic Properties: Odor Description:winey Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 2-isoPropyl-4-methyl-1,3-dioxolane Inoue Perfumery isoBUTANAL PG ACETAL Prodasynth ISOBUTYRALDEHYDE PG ACETAL (SUM OF ISOMERS > 98%) Odor: WINE   Safety Information: European information : Most important hazard(s): Xi - Irritant   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 isobutyraldehyde propylene glycol 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: 15.00000 30.00000 beverages(nonalcoholic): 5.00000 50.00000 beverages(alcoholic): 5.00000 10.00000 breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: 10.00000 20.00000 egg products: - - fats / oils: - - fish products: - - frozen dairy: 5.00000 10.00000 fruit ices: 0.50000 2.50000 gelatins / puddings: 5.00000 10.00000 granulated sugar: - - gravies: - - hard candy: 20.00000 50.00000 imitation dairy: - - instant coffee / tea: 1.00000 5.00000 jams / jellies: - - meat products: - - milk products: 5.00000 10.00000 nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: 10.00000 30.00000 soups: - - sugar substitutes: - - sweet sauces: - -   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):67879-60-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :98461 National Institute of Allergy and Infectious Diseases:Data 4-methyl-2-propan-2-yl-1,3-dioxolane Chemidplus:0067879601   References:   4-methyl-2-propan-2-yl-1,3-dioxolane NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 67879-60-1 Pubchem (cid): 98461 Pubchem (sid): 135079870   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): HMDB32204 FooDB: FDB009185 ChemSpider: View   Potential Blenders and core components note For Odor balsamic opoponax oil (balsamodendron kafal) FL/FR opoponax resinoid (balsamodendron kafal) FR terpinyl cinnamate FL/FR caramellic diethyl malate FL/FR earthy amyl octanoate FL/FR ethereal iso amyl acetoacetate FL/FR iso butyl alcohol FL/FR 2- methyl-1-butanol FL/FR fatty butyl undecylenate FL/FR fermented methyl decanoate FL/FR 3- methyl-1-pentanol FL/FR floral dimethyl anthranilate FL/FR rose oil (rosa damascena) bulgaria FL/FR fruity iso butyl acetoacetate FL/FR butyl anthranilate FL/FR butyl hexanoate FL/FR diethyl laevo-tartrate FL/FR diethyl sebacate FL/FR ethyl 3,5,5-trimethyl hexanoate FR ethyl heptanoate FL/FR farnesyl acetone FL/FR geranyl acetoacetate FL/FR methyl nonanoate FL/FR 2- pentanone FL/FR propyl heptanoate FL/FR sorbyl butyrate FL/FR green benzaldehyde dimethyl acetal FL/FR green cognac oil FL/FR heptanal (aldehyde C-7) FL/FR (Z)-3- hexen-1-yl butyrate FL/FR hexyl isobutyrate FL/FR hexyl phenyl acetate FL/FR herbal iso amyl tiglate FL/FR clary sage concrete FL/FR white cognac oil FL/FR ethyl chrysanthemate FR phenethyl senecioate FL/FR honey methyl hydrocinnamate FL/FR waxy allyl nonanoate FL/FR iso amyl laurate FL/FR ethyl nonanoate FL/FR ethyl octanoate FL/FR winey butyl angelate FL/FR 2- hexanol FL/FR For Flavor No flavor group found for these amyl octanoate FL/FR iso amyl tiglate FL/FR 2- amyl-5 or 6-keto-1,4-dioxane FL butyl angelate FL/FR diethyl laevo-tartrate FL/FR diethyl malate FL/FR ethyl aconitate FL farnesyl acetone FL/FR fleabane oil (erigeron canadensis) FL geranyl acetoacetate FL/FR 2- hexanol FL/FR methyl hydrocinnamate FL/FR phenethyl senecioate FL/FR sorbyl propionate FL balsamic balsamic opoponax oil (balsamodendron kafal) FL/FR ethereal iso butyl alcohol FL/FR 2- methyl-1-butanol FL/FR fatty iso amyl laurate FL/FR methyl decanoate FL/FR floral rose oil (rosa damascena) bulgaria FL/FR fruity iso amyl acetoacetate FL/FR iso butyl acetoacetate FL/FR butyl anthranilate FL/FR butyl hexanoate FL/FR diethyl sebacate FL/FR dimethyl anthranilate FL/FR ethyl heptanoate FL/FR hexyl phenyl acetate FL/FR 2- pentanone FL/FR sorbyl butyrate FL/FR terpinyl cinnamate FL/FR fusel white cognac oil FL/FR green cognac oil FL/FR green benzaldehyde dimethyl acetal FL/FR heptanal (aldehyde C-7) FL/FR (Z)-3- hexen-1-yl butyrate FL/FR hexyl isobutyrate FL/FR herbal clary sage concrete FL/FR waxy allyl nonanoate FL/FR butyl undecylenate FL/FR ethyl nonanoate FL/FR ethyl octanoate FL/FR propyl heptanoate FL/FR whiskey 3- methyl-1-pentanol FL/FR winey methyl nonanoate FL/FR   Potential Uses: FL brandy apple brandy FL cognac FL saki FL tequila FL vermouth FL whiskey FL wine FL wine sherry wine   Occurrence (nature, food, other):note   not found in nature   Synonyms: iso butanal PG acetal iso butanal propylene glycol acetal iso butanal propyleneglycol acetal iso- butyl aldehyde propylene glycol acetal iso butyraldehyde PG acetal iso butyraldehyde propyleneglycol acetal iso butyraldehyde, propylene glycol acetal 1,3- dioxolane, 4-methyl-2-(1-methylethyl)- 4- methyl-2-(1-methyl ethyl)-1,3-dioxolane 4- methyl-2-(1-methylethyl)-1,3-dioxolane 4- methyl-2-propan-2-yl-1,3-dioxolane (Z+E)-2-iso propyl-4-methyl-1,3-dioxolane 2-iso propyl-4-methyl-1,3-dioxolane cis- and trans-2-iso propyl-4-methyl-1,3-dioxolane   Articles:   None found yet. 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Notes: Used as a food additive [EAFUS]