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benzaldehyde propylene glycol acetal
General Material Information
| Preferred name | benzaldehyde propylene glycol acetal |
| Trivial Name | 4-Methyl-2-phenyl-1,3-dioxolane |
| Short Description | 4-methyl-2-phenyl-1,3-dioxolane |
| Formula | C10 H12 O2 |
| CAS Number | 2568-25-4 |
| FEMA Number | 2130 |
| Flavis Number | 6.032 |
| ECHA Number | 219-906-4 |
| FDA UNII | ELQ3FTL5B1 |
| Nikkaji Number | J111.034I |
| MDL | MFCD00059732 |
| COE Number | 2226 |
| xLogP3-AA | 1.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 839 benzaldehyde propylene glycol acetal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 2568-25-4 ; BENZALDEHYDE PROPYLENE 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): | HMDB37160 |
| FooDB: | FDB016155 |
| Export Tariff Code: | 2913.00.5000 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 164.20404052734 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.82 to 8.87 |
| Refractive Index | 1.5 to 1.506 @ 20 °C |
| Boiling Point | 83 to 85°C @ 4 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.053 mmHg @ 25 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 2.119 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 2119 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alkalis | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| bitter, narcissus, sweet, naphthyl, woody, fruity | |
| Odor strength | medium |
| Substantivity | 48 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 100.00 %. bitter narcissus sweet naphthalic woody |
| Flavor Type: Fruity | |
| fruity, cherry maraschino cherry, medicinal, phenolic | |
| Luebke, William tgsc, (1997) | Fruity maraschino cherry medicinal phenolic |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Aldehydic, Almond, Almond blossom, Amber, Apple, Crabapple, Apple green apple, Apricot, Balsam, Berry, Blackberry, Blueberry, Bouquet, Bubble gum, Butterscotch, Cassia, Cherry, Cherry black cherry, Cherry blossom, Cinnamon, Clove blossom, Coconut, Coconut tropical coconut, Coffee, Cranberry, Eglantine, Elder berry, Elder flower, Floral, Fruit, Gooseberry, Heliotrope, Herbal, Hibiscus, Jasmin, Loganberry, Marigold, Mint, Mulberry, Musk, Myrtle oil replacer, Narcissus, Papaya, Parsley leaf, Passion blossom, Passion fruit, Peach, Pineapple, Plum, Plum blossom, Pomegranate, Quince, Raspberry, Rhubarb, Saffron, Spice, Stephanotis, Strawberry, Vanilla, Vetiver, Violet, Woody |
| Flavoring purposes | Brandy, Cherry maraschino cherry, Cherry wild cherry, Grenadine, Marigold, Nut, Parsley leaf, Pecan, Pistachio, Tropical, Walnut, Whiskey |
| Other purposes | Enhancer, Rose wild rose, Topnotes |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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: | |
| gavage-rat LD50 [sex: M,F] 3000 mg/kg (Lewis & Palanker, 1979b) oral-rat LD50 3000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 9S, 1992. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 9S, 1992. | |
| 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 benzaldehyde propylene glycol acetal usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.037 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 110.00 (μg/capita/day) | ||
| Structure Class: | I | ||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 96.00000 | |
| beverages(nonalcoholic): | - | 34.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 27.00000 | |
| fruit ices: | - | 27.00000 | |
| gelatins / puddings: | - | 50.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 110.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| 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
| 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) related to Flavouring Group Evaluation 3 (FGE.03); Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and a orthoester of formic acid, from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| 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 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of 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) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food 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 |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of 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.20Rev1 (2009) 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 Substance Registry Services (TSCA):2568-25-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :595928 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-methyl-2-phenyl-1,3-dioxolane |
| Chemidplus:0002568254 |
| RTECS:JI3870000 for cas# 2568-25-4 |