isovaleraldehyde propylene glycol acetal
cis- and trans-2-isobutyl-4-methyl-1,3-dioxolane

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  ISOVALERALDEHYDE PG ACETAL (SUM OF ISOMERS > 97%)

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  W428600 2-Isobutyl-4-methyl-1,3-dioxolane, mixture of isomers, ≥97%
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  2-Isobutyl-4-methyl-1,3-dioxolane

CAS Number: 18433-93-7 3D/inchi ECHA EINECS - REACH Pre-Reg: 242-309-5 FDA UNII: TUG3U82JZS Nikkaji Web: J266.170E MDL: MFCD00238528 XlogP3-AA: 2.00 (est) Molecular Weight: 144.21392000 Formula: C8 H16 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Mixture of ((R/R), (R/S), (S/R) & (S/S) in equal ratios) (EFFA, 2010a). Category:flavor and fragrance 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: 1732 isovaleraldehyde propyleneglycol acetal DG SANTE Food Flavourings: 06.135 2-isobutyl-4-methyl-1,3-dioxolane FEMA Number: 4286 cis- and trans-2-isobutyl-4-methyl-1,3-dioxolane FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 18433-93-7 ; CIS- AND TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 96.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.89800 to 0.90200 @ 20.00 °C. Pounds per Gallon - (est).: 7.481 to 7.514 Refractive Index: 1.41300 to 1.41700 @ 20.00 °C. Boiling Point: 150.00 °C. @ 760.00 mm Hg Acid Value: 1.00 max. KOH/g Vapor Pressure: 3.534000 mmHg @ 25.00 °C. (est) Flash Point: 105.00 °F. TCC ( 40.56 °C. ) logP (o/w): 1.991 (est) Soluble in:   alcohol   water, 1815 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 isobutyraldehyde 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 vanillin propylene glycol acetal   Organoleptic Properties: Odor Type: ethereal Odor Strength:medium Substantivity:3 hour(s) at 100.00 % sweet ethereal fruity tropical rummy sour ripe dairy buttery Odor Description:at 100.00 %. sweet ethereal fruity tropical rummy sour ripe dairy buttery Luebke, William tgsc, (2008) Odor sample from: Sigma-Aldrich Flavor Type: fruity fruity ethereal tutti frutti tropical rummy ripe Taste Description: fruity ethereal tutti frutti tropical rummy ripe Luebke, William tgsc, (2008) Odor and/or flavor descriptions from others (if found). Prodasynth ISOVALERALDEHYDE PG ACETAL (SUM OF ISOMERS > 97%) Odor Description:FRUITY,FATTY,TROPICAL,RUM,ETHEREAL   Cosmetic Information: None found   Suppliers: Apple Flavor & Fragrance Isovaleraldehyde PG Acetal Beijing Lys Chemicals 2-isoButyl-4-methyl-1,3-dioxolane BOC Sciences For experimental / research use only. isoValeraldehyde Propylene Glycol Acetal Ernesto Ventós ISOVALERALDEHYDE PG ACETAL Inoue Perfumery ISOVALER ALDEHYDE PG ACETAL Penta International CIS & TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE Penta International ISOVALERALDEHYDE PROPYLENE GLYCOL ACETAL Prodasynth ISOVALERALDEHYDE PG ACETAL (SUM OF ISOMERS > 97%) Odor: FRUITY,FATTY,TROPICAL,RUM,ETHEREAL Sigma-Aldrich 2-Isobutyl-4-methyl-1,3-dioxolane, mixture of isomers, ≥97% sds Certified Food Grade Products TCI AMERICA For experimental / research use only. 2-Isobutyl-4-methyl-1,3-dioxolane >98.0%(GC) sds WholeChem 2-Isobutyl-4-methyl-1,3-dioxolane   Safety Information: Preferred SDS: View   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: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice Recommendation for isovaleraldehyde propylene glycol acetal usage levels up to:   4.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day) Threshold of Concern: 540 (μg/person/day) Structure Class: II 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 50.00000 beverages(nonalcoholic): 5.00000 50.00000 beverages(alcoholic): 5.00000 10.00000 breakfast cereal: 1.00000 50.00000 cheese: 1.00000 50.00000 chewing gum: 1.00000 100.00000 condiments / relishes: 10.00000 50.00000 confectionery froastings: 1.00000 50.00000 egg products: 1.00000 50.00000 fats / oils: 1.00000 100.00000 fish products: - - frozen dairy: 5.00000 20.00000 fruit ices: 0.50000 20.00000 gelatins / puddings: 5.00000 20.00000 granulated sugar: - - gravies: 1.00000 50.00000 hard candy: 20.00000 100.00000 imitation dairy: 1.00000 100.00000 instant coffee / tea: 2.00000 10.00000 jams / jellies: 0.10000 20.00000 meat products: 1.00000 100.00000 milk products: 5.00000 50.00000 nut products: 1.00000 100.00000 other grains: 1.00000 50.00000 poultry: 1.00000 50.00000 processed fruits: 0.10000 20.00000 processed vegetables: 0.10000 20.00000 reconstituted vegetables: - - seasonings / flavors: 1.00000 100.00000 snack foods: 1.00000 100.00000 soft candy: 10.00000 100.00000 soups: 1.00000 50.00000 sugar substitutes: - - sweet sauces: 0.80000 20.00000   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 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab) View page or View pdf Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):18433-93-7 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :86733 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1993 WGK Germany:3 4-methyl-2-(2-methylpropyl)-1,3-dioxolane Chemidplus:0018433937   References:   4-methyl-2-(2-methylpropyl)-1,3-dioxolane NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 18433-93-7 Pubchem (cid): 86733 Pubchem (sid): 135044619   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): HMDB32203 FooDB: FDB009184 Export Tariff Code: 2932.99.7000 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor alcoholic fusel oil FL/FR balsamic iso propyl cinnamate FL/FR caramellic strawberry furanone acetate FL/FR chemical iso butyl formate FL/FR citrus citral dimethyl acetal FL/FR (E)-4- decenal FL/FR ethereal acetal FL/FR butyl acetate FL/FR ethyl acetate FL/FR ethyl pyruvate FL/FR methyl acetate FL/FR iso propyl acetate FL/FR iso propyl formate FL/FR propyl valerate FL/FR fatty 5- methyl-5-hexen-2-one FL/FR floral acetal 318 FR para- anisyl butyrate FL/FR anisyl propanal / methyl anthranilate schiff's base FR blue lagoon fragrance FR butyl tiglate FR cassis specialty FR cuminyl acetaldehyde FL/FR black currant bud concrete FL/FR ethyl 2-benzyl butyrate FL/FR ethyl linalyl acetate FR iso eugenyl ethyl acetal FR farnesyl acetate FL/FR gardenia absolute FR hydroxycitronellal diethyl acetal FL/FR alpha- ionone FL/FR nonan-3-yl acetate FL/FR ocean propanal / methyl anthranilate schiff's base FR phenethyl acetate FL/FR phenyl acetaldehyde diisobutyl acetal FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR rose butanoate FL/FR styralyl formate FL/FR styralyl isobutyrate FL/FR terpinyl isobutyrate FL/FR fruity acetaldehyde diisoamyl acetal FL/FR allyl cyclohexyl propionate FL/FR amyl acetate FL/FR amyl formate FL/FR amyl heptanoate FL/FR benzyl methyl ether FL/FR berry pentadienoate FL/FR iso butyl 2-butenoate FL/FR iso butyl acetate FL/FR iso butyl isobutyrate FL/FR butyl isobutyrate FL/FR butyl propionate FL/FR iso butyl valerate FL/FR dimethyl succinate FL/FR 2- ethyl butyl acetate FL/FR ethyl isobutyrate FL/FR ethyl propionate FL/FR (E)- ethyl tiglate FL/FR geranyl ethyl ether FL/FR heptyl butyrate FL/FR kiwi specialty FR lychee fragrance FR methyl 2-methyl butyrate FL/FR methyl butyrate FL/FR methyl cyclohexyl acetate FR methyl hexanoate FL/FR methyl isobutyrate FL/FR methyl propionate FL/FR neocaspirene FL/FR passion fruit fragrance FR peach pivalate FR propyl acetate FL/FR propyl isobutyrate FL/FR iso propyl propionate FL/FR vanilla carboxylate FL/FR green iso amyl 3-(2-furan) propionate FL/FR iso butyl benzyl carbinol FL/FR chrysanthemum oxide FL/FR cognac heptanone FL/FR decanal propylene glycol acetal FL/FR earthy acetal FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR galbanum specialty FR heptanal dimethyl acetal FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR hexyl hexanoate FL/FR hyacinth absolute FL/FR ivy carbaldehyde / methyl anthranilate schiff's base FR methyl cyclocitrone (IFF) FR 4- methyl-4-phenyl pentanone FR octyl oxyacetaldehyde FR (Z)-2- penten-1-ol FL/FR 1- penten-3-ol FL/FR phenoxyethyl isobutyrate FL/FR phenyl acetaldehyde FL/FR herbal barosma betulina leaf oil FL/FR clary sage absolute FL/FR (E)-6- methyl-3-hepten-2-one FL/FR viridiflorol FL/FR marine marine hexane FR sulfurous buchu mercaptan FL/FR lychee mercaptan acetate FL/FR passiflora acetate FL/FR S- tropical 2-thiobutyrate FL/FR 4- tropical oxathiane FL/FR tropical cis- galbanum oxathiane FL/FR hexyl 2-methyl-3-pentenoate FL/FR 3- nonen-4-olide FL/FR passiflora edulis fruit extract FL/FR passiflora edulis fruit water FL/FR pina colada fragrance FR triflaige A (ZEON) FR tropical 3-thiobutyrate FL/FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these acetaldehyde diisoamyl acetal FL/FR butyl methyl ketone FL decanal propylene glycol acetal FL/FR S-(2,5- dimethyl-3-furyl) ethane thioate FL earthy acetal FL/FR ethyl 2-(methyl thio) acetate FL ethyl 2-benzyl butyrate FL/FR ethyl 2-methyl-2-(methyl thio) propionate FL geranyl ethyl ether FL/FR 2- heptenoic acid FL hyacinth absolute FL/FR methyl 2-(methyl thio) acetate FL 2- methyl butyl isobutyrate FL 2- methyl butyl propionate FL S-( methyl thio) hexanoate FL (E)-6- methyl-3-hepten-2-one FL/FR neocaspirene FL/FR nonan-3-yl acetate FL/FR 3- nonen-4-olide FL/FR S- prenyl thioisobutyrate FL S- prenyl thioisovalerate FL propyl valerate FL/FR sorbyl propionate FL styralyl formate FL/FR styralyl isobutyrate FL/FR terpinyl isobutyrate FL/FR S- tropical 2-thiobutyrate FL/FR viridiflorol FL/FR allyl thiohexanoate FL iso amyl 3-(2-furan) propionate FL/FR amber amber iso butyl benzyl carbinol FL/FR anisic para- anisyl butyrate FL/FR balsamic iso propyl cinnamate FL/FR caramellic strawberry furanone acetate FL/FR cheesy methyl ketones FL citrus citral dimethyl acetal FL/FR cognac heptanone FL/FR creamy triacetin FL cucumber 2- ethyl octine carbonate FL estery propyl acetate FL/FR ethereal butyl acetate FL/FR ethyl acetate FL/FR ethyl isobutyrate FL/FR methyl acetate FL/FR methyl isobutyrate FL/FR 5- methyl-5-hexen-2-one FL/FR iso propyl acetate FL/FR floral farnesyl acetate FL/FR alpha- ionone FL/FR rhodinyl butyrate FL/FR rhodinyl isobutyrate FL/FR fruity allyl cyclohexyl propionate FL/FR amyl acetate FL/FR amyl formate FL/FR amyl heptanoate FL/FR benzyl methyl ether FL/FR berry pentadienoate FL/FR iso butyl acetate FL/FR iso butyl isobutyrate FL/FR butyl isobutyrate FL/FR butyl propionate FL/FR iso butyl valerate FL/FR black currant bud concrete FL/FR dimethyl succinate FL/FR 2- ethyl butyl acetate FL/FR ethyl propionate FL/FR (E)- ethyl tiglate FL/FR fusel oil FL/FR hexyl 2-methyl-3-pentenoate FL/FR hexyl hexanoate FL/FR 3- mercaptohexyl hexanoate FL methyl 2-methyl butyrate FL/FR 2- methyl allyl butyrate FL methyl hexanoate FL/FR methyl propionate FL/FR passion fruit distillates FL iso propyl formate FL/FR propyl isobutyrate FL/FR iso propyl propionate FL/FR rose butanoate FL/FR 4- tropical oxathiane FL/FR vanilla carboxylate FL/FR fusel methyl butyrate FL/FR green iso butyl 2-butenoate FL/FR chrysanthemum oxide FL/FR cuminyl acetaldehyde FL/FR (E)-4- decenal FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR 2- ethyl butyraldehyde FL cis- galbanum oxathiane FL/FR heptanal dimethyl acetal FL/FR heptyl butyrate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR methyl 2-undecynoate FL (Z)-2- penten-1-ol FL/FR 1- penten-3-ol FL/FR phenoxyethyl isobutyrate FL/FR phenyl acetaldehyde diisobutyl acetal FL/FR herbal barosma betulina leaf oil FL/FR buchu oil fractions FL clary sage absolute FL/FR honey phenethyl acetate FL/FR phenyl acetaldehyde FL/FR juicy lychee mercaptan acetate FL/FR melon hydroxycitronellal diethyl acetal FL/FR nutty acetal FL/FR pungent acetaldehyde FL rummy iso butyl formate FL/FR ethyl pyruvate FL/FR sulfurous buchu mercaptan FL/FR methyl 2-(methyl thio) butyrate FL methyl thiomethyl butyrate FL tropical 3-thiobutyrate FL/FR tropical anacardium occidentale fruit puree FL 3- mercaptohexyl butyrate FL passiflora acetate FL/FR passiflora edulis fruit extract FL/FR passiflora edulis fruit water FL/FR vegetable 2- octen-4-one FL/FR   Potential Uses: FL caramel FR floral FR green   Occurrence (nature, food, other):note   wine port wine - up to 2 mg/kg Search Picture   Synonyms: (Z+E)-2-iso butyl-4-methyl-1,3-dioxolane 2-iso butyl-4-methyl-1,3-dioxolane cis & trans-2-iso butyl-4-methyl-1,3-dioxolane cis- and trans-2-iso butyl-4-methyl-1,3-dioxolane 1,3- dioxolane, 4-methyl-2-(2-methylpropyl)- 4- methyl-2-(2-methyl propyl)-1,3-dioxolane 4- methyl-2-(2-methylpropyl)-1,3-dioxolane iso valer aldehyde PG acetal iso valeraldehyde PG acetal iso valeraldehyde propyleneglycol acetal iso valeric aldehyde propylene glycol acetal iso valeric aldehyde propyleneglycol acetal   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]