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2-phenyl propionaldehyde dimethyl acetal
General Material Information
| Preferred name | 2-phenyl propionaldehyde dimethyl acetal |
| Trivial Name | (2,2-Dimethoxy-1-methylethyl)benzene |
| Short Description | 2-phenylpropionaldehyde dimethyl acetal |
| Formula | C11 H16 O2 |
| CAS Number | 90-87-9 |
| Deleted CAS Number | 130605-86-6 |
| FEMA Number | 2888 |
| Flavis Number | 6.03 |
| ECHA Number | 202-022-8 |
| FDA UNII | H41WGL6C12 |
| Nikkaji Number | J59.869K |
| Beilstein Number | 2091958 |
| MDL | MFCD00008860 |
| COE Number | 2017 |
| xLogP3-AA | 2.40 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1468 2-phenylpropionaldehyde dimethyl acetal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 90-87-9 ; 2-PHENYLPROPIONALDEHYDE 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): | HMDB32468 |
| FooDB: | FDB019983 |
| Export Tariff Code: | 2911.00.5000 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 180.24691772461 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.229 to 8.296 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.247 to 8.314 |
| Refractive Index | 1.492 to 1.497 @ 20 °C |
| Boiling Point | 111 to 112°C @ 12 mm Hg |
| Boiling Point | 240 to 241°C @ 760 mm Hg |
| Vapor Pressure | 0.123 mmHg @ 25 °C |
| Flash Point TCC Value | 92.22 °C TCC |
| logP (o/w) | 2.579 |
| 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 | |
| alcohol | Yes |
| water, 542.5 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic lotion | Unspecified |
| alkalis | Unspecified |
| antiperspirant | Unspecified |
| bleach | Unspecified |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| floral, leafy, hyacinth, green, mushroom, earthy, walnut, sweet, citrus, honey | |
| Odor strength | medium |
| Substantivity | 12 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 100.00 %. floral leafy hyacinth green mushroom earthy walnut |
| Mosciano, Gerard P&F 15, No. 6, 35, (1990) | Sweet, floral, citrus, green with a honey nuance |
| Flavor Type: Fruity | |
| fruity, green, spicy, floral, watercress | |
| Luebke, William tgsc, (1989) | Fruity green spicy floral watercress |
| Mosciano, Gerard P&F 15, No. 6, 35, (1990) | At 25.00 ppm. Fruity, green and floral |
| General comment | Fruity green floral |
Potential Uses
| Applications | |
| Odor purposes | Clematis , Fennel , Fungus , Green , Greenhouse , Hyacinth , Hydrangea , Ivy , Rose geranium |
| Flavoring purposes | Green , Mushroom , Walnut , Walnut black walnut |
| Other purposes | Truffle |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 1850 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 819, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 819, 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 2-phenyl propionaldehyde dimethyl acetal usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 4.30 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 3.10000 | |
| beverages(nonalcoholic): | - | 0.26000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 5.00000 | |
| condiments / relishes: | - | 5.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.51000 | |
| fruit ices: | - | 0.51000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.50000 | |
| 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 |
| Flavouring Group Evaluation 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (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 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):90-87-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62336 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 1,1-dimethoxypropan-2-ylbenzene |
| Chemidplus:0000090879 |
| RTECS:MU6480000 for cas# 90-87-9 |