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acetaldehyde dimethyl acetal
General Material Information
| Preferred name | acetaldehyde dimethyl acetal |
| Trivial Name | Dimethyl acetal |
| Short Description | ethane, 1,1-dimethoxy- |
| Formula | C4 H10 O2 |
| CAS Number | 534-15-6 |
| FEMA Number | 3426 |
| Flavis Number | 6.015 |
| ECHA Number | 208-589-8 |
| FDA UNII | ZO2AW8UR5T |
| Nikkaji Number | J6.336C |
| Beilstein Number | 1697039 |
| MDL | MFCD00008493 |
| COE Number | 510 |
| xLogP3-AA | 0.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 940 1,1-dimethoxyethane |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 534-15-6 ; 1,1-DIMETHOXYETHANE |
| 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): | HMDB30061 |
| FooDB: | FDB001369 |
| Export Tariff Code: | 2911.00.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: as mering's mixture which is 2 vol dimethylacetal and 1 vol chloroform | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 90.122100830078 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.089 to 7.106 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.073 to 7.156 |
| Refractive Index | 1.365 to 1.367 @ 20 °C |
| Boiling Point | 64 to 65°C @ 760 mm Hg |
| Vapor Pressure | 171 mmHg @ 25 °C |
| Vapor Density | 3.1 |
| Flash Point TCC Value | -17.22 °C TCC |
| logP (o/w) | 0.082 est |
| Solubility | |
| alcohol | Yes |
| water, 8.027e+004 mg/L @ 25 °C (est) | Yes |
| water, 1.00E+06 mg/L @ 25 °C (exp) | Yes |
| Stability | |
| alkalis | Unspecified |
Organoleptic Properties
| Odor Type: Ethereal | |
| sharp, sweet, alcoholic, ethereal, green, hay new mown hay | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | < 1 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 1.00 % in propylene glycol. sharp sweet alcohol ether green new mown hay |
| Flavor Type: Ethereal | |
| sharp, ethereal, alcoholic, fruity, green, privet | |
| Luebke, William tgsc, (1985) | Sharp ethereal alcoholic fruity green privet |
| 1,1-DIMETHOXYETHANE adds freshness, juicy, fruity and green character to citrus, lychee, pomegranate and other fruit flavors. | Sharp ethereal, fruity and green notes |
| General comment | Sharp ethereal fruity green |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acorn , Autumn , Beeswax absolute replacer , Berry , Berry jam , Blackberry , Blueberry , Boysenberry , Bramble arctic bramble blackberry , Cherry black cherry , Coffee , Country meadow , Currant , Currant black currant , Currant red currant , Davana oil replacer , Elder berry , Fenugreek , Flouve , Flouve blossom , Foliage , Genet , Hay new mown hay , Hop , Huckleberry , Immortelle , Linden flower , Loganberry , Mulberry , Osmanthus , Pine needle , Quince , Raspberry , Raspberry black raspberry , Strawberry , Sweet grass , Tobacco , Tobacco , Tobacco flower , Tonka bean , Woodruff , Wormwood oil replacer , Yerba mate |
| Flavoring purposes | Cappuccino , Chicory root , Fenugreek , Immortelle , Pine needle , Raspberry red raspberry , Rum , Tea , Yerba mate |
| Other purposes | Raspberry green raspberry , Raspberry jam , Straw , Strawberry jam , Strawberry leaf , Weedy , Wet fields , Wheat |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| F - Highly flammable. | |
| R 12 - Extremely flammable. S 02 - Keep out of the reach of children. S 09 - Keep container in a well-ventilated place. S 16 - Keep away from sources of ignition - No Smoking. S 33 - Take precautionary measures against static discharge. | |
| 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-rabbit LD50 4507 mg/kg Proceedings of the Society for Experimental Biology and Medicine. Vol. 29, Pg. 730, 1932. oral-rat LD50 6500 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 20000 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949. | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 3000 ppm/4H BEHAVIORAL: GENERAL ANESTHETIC AMA Archives of Industrial Health. Vol. 12, Pg. 623, 1955. | |
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 acetaldehyde dimethyl acetal usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 61.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 11.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 8 | |||
| Click here to view publication 8 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 6.00000 | |
| beverages(nonalcoholic): | - | 3.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 6.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.00000 | |
| fruit ices: | - | 3.00000 | |
| gelatins / puddings: | - | 3.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 3.00000 | |
| 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 |
| 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 61 (FGE.61): Consideration of aliphatic acyclic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and an orthoester of formic acid evaluated by EFSA in FGE.03 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 61, Revision 1 (FGE.61Rev1): Consideration of aliphatic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes and one orthoester of formic acid evaluated View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 3, Revision 2 (FGE.03Rev2): 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 and 4 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 61 Revision 2 (FGE.61Rev2): consideration of aliphatic acetals evaluated by JECFA (57th, 63rd and 68th meetings) structurally related to acetals evaluated by EFSA in FGE.03Rev2 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):534-15-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :10795 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2377 |
| WGK Germany:2 |
| 1,1-dimethoxyethane |
| Chemidplus:0000534156 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:AB2825000 for cas# 534-15-6 |