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vanillin 2,3-butylene glycol acetal
General Material Information
| Preferred name | vanillin 2,3-butylene glycol acetal |
| Trivial Name | 4-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol |
| Short Description | vanillin erythro- and threo-butan-2,3-diol acetal |
| Formula | C12 H16 O4 |
| CAS Number | 63253-24-7 |
| FEMA Number | 4023 |
| Flavis Number | 6.132 |
| FDA UNII | 4KH462EVTJ |
| xLogP3-AA | 1.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 960 vanillin erythro- & threo-butan-2,3-diol acetal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 63253-24-7 ; VANILLIN 1,2-BUTYLENE GLYCOL ACETAL |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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): | HMDB32552 |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Excellentia International |
| Parchem | Penta International |
| Vigon International | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 224.25631713867 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.652 to 9.819 |
| Refractive Index | 1.527 to 1.537 @ 20 °C |
| Melting Point | 48 to 52°C @ 760 mm Hg |
| Boiling Point | 324 to 326°C @ 760 mm Hg |
| Flash Point TCC Value | 158.3 °C TCC |
| logP (o/w) | 1.58 est |
| Solubility | |
| alcohol | Yes |
| water, 1688 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Vanilla | |
| vanilla, creamy, chocolate, powdery, caramellic, dairy, custard, gourmand, balsamic, malty | |
| Odor strength | medium |
| Substantivity | > 696 hour(s) at 100.00 % |
| Luebke, William tgsc, (2017) | At 100.00 %. vanilla creamy chocolate powdery caramellic dairy custard gourmand balsamic malty |
| Flavor Type: Vanilla | |
| vanilla, chocolate, cocoa, creamy, caramellic, powdery, custard, dairy | |
| Luebke, William tgsc, (2017) | Vanilla chocolate cocoa creamy caramellic powdery custard dairy |
Potential Uses
| Applications | |
| Odor purposes | Amber , Baby powder , Heliotrope , Vanilla |
Safety Information
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: | |||
| 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 vanillin 2,3-butylene glycol acetal usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.40 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 3.00 (μg/capita/day) | ||
| 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: 20 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 200.00000 | 400.00000 | |
| beverages(nonalcoholic): | 60.00000 | 120.00000 | |
| beverages(alcoholic): | 60.00000 | 120.00000 | |
| breakfast cereal: | 180.00000 | 300.00000 | |
| cheese: | - | - | |
| chewing gum: | 250.00000 | 500.00000 | |
| condiments / relishes: | 60.00000 | 120.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 80.00000 | 160.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 100.00000 | 200.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 150.00000 | 280.00000 | |
| imitation dairy: | 60.00000 | 120.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 60.00000 | 120.00000 | |
| nut products: | 60.00000 | 120.00000 | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | 60.00000 | 120.00000 | |
| soft candy: | 120.00000 | 240.00000 | |
| soups: | 60.00000 | 120.00000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf |
| Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 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 :57358374 |
| National Institute of Allergy and Infectious Diseases:Data |
| 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol |
| Chemidplus:0063253247 |