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para-anisyl phenyl acetate
General Material Information
| Preferred name | para-anisyl phenyl acetate |
| Trivial Name | (4-Methoxyphenyl)methyl benzeneacetate |
| Short Description | anisyl phenylacetate |
| Formula | C16 H16 O3 |
| CAS Number | 102-17-0 |
| FEMA Number | 3740 |
| Flavis Number | 9.706 |
| ECHA Number | 203-010-5 |
| FDA UNII | 7475820557 |
| Nikkaji Number | J74.786F |
| Beilstein Number | 5045439 |
| MDL | MFCD00053679 |
| COE Number | 233 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 876 anisyl phenylacetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 102-17-0 ; ANISYL PHENYLACETATE |
| 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): | HMDB34992 |
| FooDB: | FDB013595 |
| Export Tariff Code: | 2916.35.1500 |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Penta International |
| Pfaltz & Bauer | Santa Cruz Biotechnology |
| Sigma-Aldrich | Vigon International |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 256.30111694336 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.336 to 9.403 |
| Refractive Index | 1.552 to 1.56 @ 20 °C |
| Boiling Point | 374 to 375°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.357 est |
| Solubility | |
| alcohol | Yes |
| water, 10.82 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Anisic | |
| anise, honey, balsamic, woody | |
| Odor strength | medium |
| Substantivity | 48 hour(s) at 100.00 % |
| Luebke, William tgsc, (2006) | At 100.00 %. anise honey balsam woody |
| Flavor Type: Anisic | |
| anisic, balsamic, licorice, honey, powdery, medicinal | |
| Luebke, William tgsc, (2006) | Sweet anisic balsamic licorice honey powdery medicinal |
Potential Uses
| Applications | |
| Odor purposes | Amber , Floral , Hawthorn , Honey , Moss , Spice , Tobacco , Woody |
| Other purposes | Fixer |
| 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: | |
| oral-rat LD50 > 5000 mg/kg (Moreno, 1977ab) gavage-rat LD50 [sex: M,F] M:5417.00 F:4641 mg/kg (Reagan & Becci, 1984d) | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 651, 1980. | |
| 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 para-anisyl phenyl acetate usage levels up to: | |||
| 7.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0024 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (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: 14 | |||
| Click here to view publication 14 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 14.70000 | |
| beverages(nonalcoholic): | - | 5.66000 | |
| beverages(alcoholic): | - | 10.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 6.16000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 6.16000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | - | 10.80000 | |
| 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 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted 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) (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 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 |
| 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):102-17-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7599 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (4-methoxyphenyl)methyl 2-phenylacetate |
| Chemidplus:0000102170 |
| RTECS:AJ3000000 for cas# 102-17-0 |