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benzaldehyde dimethyl acetal
General Material Information
| Preferred name | benzaldehyde dimethyl acetal |
| Trivial Name | Benzaldehyde dimethyl acetal |
| Short Description | alpha,alpha-dimethoxytoluene |
| Formula | C9 H12 O2 |
| CAS Number | 1125-88-8 |
| FEMA Number | 2128 |
| Flavis Number | 6.003 |
| ECHA Number | 214-413-0 |
| FDA UNII | W6T83K35CA |
| Nikkaji Number | J57.881I |
| Beilstein Number | 2044501 |
| MDL | MFCD00008491 |
| COE Number | 37 |
| xLogP3-AA | 1.60 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 837 benzaldehyde dimethyl acetal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1125-88-8 ; BENZALDEHYDE DIMETHYL 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 |
Literature & References
| dimethoxymethylbenzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1125-88-8 |
| Pubchem (cid): | 62375 |
| Pubchem (sid): | 135020327 |
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): | HMDB41326 |
| FooDB: | FDB021246 |
| Export Tariff Code: | 2911.00.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 152.19303894043 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.379 to 8.462 |
| Refractive Index | 1.488 to 1.496 @ 20 °C |
| Boiling Point | 87 to 89°C @ 18 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 1.989 mmHg @ 25 °C |
| Flash Point TCC Value | 69.44 °C TCC |
| logP (o/w) | 2.237 est |
| Solubility | |
| alcohol | Yes |
| water, 4377 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alkalis | Unspecified |
Organoleptic Properties
| Odor Type: Green | |
| green, earthy, rooty, nutty, vegetable, spinach, potato, fungal, almond, winey, fruity, sharp, floral | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | > 5 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 100.00 %. green earthy rooty nutty vegetable spinach potato fungal almond winey |
| Mosciano, Gerard P&F 23, No. 1, 33, (1998) | Green, winey, fruity and sharp with a floral nuance |
| Flavor Type: Green | |
| green, earthy, rooty, nutty, potato, fungal, turnup, radish, sharp, almond bitter almond, cherry | |
| Luebke, William tgsc, (2021) | Green earthy rooty nutty potato fungal turnup radish |
| Mosciano, Gerard P&F 23, No. 1, 33, (1998) | At 5.00 ppm. Green, sharp and almondy with a cherry pit nuance |
| Used in vegetable flavors such as parsley and carrots. | Aromatic |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Aldehydic , Almond , Almond blossom , Apple , Crabapple , Apple green apple , Apricot , Balsam , Berry , Blackberry , Bouquet , Bubble gum , Butterscotch , Cassia , Cherry , Cherry black cherry , Cherry blossom , Cinnamon , Citrus , Clove blossom , Coconut , Coconut tropical coconut , Coffee , Cranberry , Eglantine , Elder berry , Elder flower , Floral , Fruit , Gooseberry , Heliotrope , Herbal , Hibiscus , Loganberry , Marigold , Mint , Mulberry , Myrtle oil replacer , Papaya , Parsley leaf , Passion blossom , Passion fruit , Peach , Pineapple , Plum , Plum blossom , Pomegranate , Quince , Raspberry , Rhubarb , Saffron , Spice , Stephanotis , Strawberry , Vanilla , Violet |
| Flavoring purposes | Arrack , Brandy , Bread white bread , Cherry maraschino cherry , Cherry wild cherry , Grenadine , Marigold , Nut , Parsley leaf , Pecan , Pistachio , Tomato , Tropical , Walnut , Whiskey |
| Other purposes | Rose wild rose , Topnotes |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. 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 36/37 - Wear suitable protective clothing and gloves. | |
| 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: | |
| oral-rat LD50 1220 mg/kg (Moreno, 1977z) oral-rat LD50 1220 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 711, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 711, 1979. | |
| 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 dimethyl acetal usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.30 (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: | - | 45.00000 | |
| beverages(nonalcoholic): | - | 26.00000 | |
| beverages(alcoholic): | - | 60.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 840.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 22.00000 | |
| fruit ices: | - | 22.00000 | |
| gelatins / puddings: | - | 50.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 56.00000 | |
| 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: | - | 50.00000 | |
| 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) 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 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):1125-88-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62375 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| dimethoxymethylbenzene |
| Chemidplus:0001125888 |
| RTECS:CU5774000 for cas# 1125-88-8 |