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phenyl acetaldehyde dimethyl acetal
General Material Information
| Preferred name | phenyl acetaldehyde dimethyl acetal |
| Trivial Name | Phenylacetaldehyde dimethyl acetal |
| Short Description | viridine (Givaudan) |
| Formula | C10 H14 O2 |
| CAS Number | 101-48-4 |
| FEMA Number | 2876 |
| ECHA Number | 202-945-6 |
| FDA UNII | P8C94L4MUR |
| Nikkaji Number | J82.120I |
| Beilstein Number | 0879360 |
| MDL | MFCD00008487 |
| COE Number | 40 |
| xLogP3-AA | 2.10 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1003 phenacetaldehyde dimethyl acetal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 101-48-4 ; PHENYLACETALDEHYDE 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 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32615 |
| FooDB: | FDB010556 |
| Export Tariff Code: | 2911.00.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 166.21998596191 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.321 to 8.371 |
| Refractive Index | 1.492 to 1.498 @ 20 °C |
| Boiling Point | 219 to 221°C @ 754 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.556 mmHg @ 25 °C |
| Flash Point TCC Value | 89 °C TCC |
| logP (o/w) | 1.692 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| fixed oils | Yes |
| paraffin oil | Yes |
| water, 1439 mg/L @ 25 °C (est) | Yes |
| glycerin | No |
| Stability | |
| alkalis | Unspecified |
| amines | Unspecified |
| ammonia | Unspecified |
| bath foam | Unspecified |
| cream | Unspecified |
| hair spray | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Green | |
| green, foliage, floral, rose, earthy, mushroom | |
| Odor strength | medium |
| Substantivity | 100 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 100.00 %. green foliage floral rosy earthy mushroom |
| Flavor Type: Green | |
| dry, green, cortex, floral, nasturtium, tropical, resinous, weedy, oily | |
| Luebke, William tgsc, (1989) | Dry green cortex floral nasturtium tropical resinous weedy oily |
| Useful in: brown nuts, fruity red, fruity yellow, fruity tropical, sweet others, alcoholics. | Dry, green-floral, fruity, citrus peel |
| General comment | Dry, green-floral, fruity, citrus peel |
| Used widely in perfumery: with a powerful green-earthy, flower-stem-like odour. Also used in apricot, cherry, honey, fruity/spicy flavours at 12ppm in bakery, at 6ppm in soft confectionery, and at 2ppm in beverages. | Green |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple blossom , Bluebell , Carnation , Champaca , Cherry , Cherry blossom , Coconut tropical coconut , Cyclamen , Earth , Floral , Florida soap , Foliage , Fresh outdoors , Gardenia , Geranium , Green , Green grass , Green leaf , Greenhouse , Herbal , Honeysuckle , Hyacinth , Jasmin , Lilac , Lily , Lily of the valley , Linden flower , Magnolia , Narcissus , Neroli , Orange blossom , Peony , Plum mirabelle plum , Rain , Rose , Rose absolute replacer , Rose red rose , Rose tea rose , Rose white rose , Spice , Sweet pea , Tobacco flower , Tuberose , Violet leaf |
| Flavoring purposes | Plum greengage plum |
| Other purposes | Freshener |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 4), H227 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H227 - Combustible liquid | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P235 - Store in a well-ventilated place. Keep cool. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 2 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 3500 ul/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 899, 1975. gavage-rat LD50 [sex: M,F] (Shelanski & Moldovan, 1971c) | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 2 ml/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 899, 1975. | |
| 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 phenyl acetaldehyde dimethyl acetal usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 17.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 40.00 (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: | - | 8.80000 | |
| beverages(nonalcoholic): | - | 0.40000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 1.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.78000 | |
| fruit ices: | - | 0.78000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.40000 | |
| 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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (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 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):101-48-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :60995 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 2,2-dimethoxyethylbenzene |
| Chemidplus:0000101484 |
| RTECS:AB3040000 for cas# 101-48-4 |