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anisole
General Material Information
| Preferred name | anisole |
| Trivial Name | Anisole |
| Short Description | methoxybenzene |
| Formula | C7 H8 O |
| CAS Number | 100-66-3 |
| FEMA Number | 2097 |
| Flavis Number | 4.032 |
| ECHA Number | 202-876-1 |
| FDA UNII | B3W693GAZH |
| Nikkaji Number | J4.012F |
| Beilstein Number | 0506892 |
| MDL | MFCD00008354 |
| COE Number | 2056 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1241 anisole |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 100-66-3 ; ANISOLE |
| 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
| anisole | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 100-66-3 |
| Pubchem (cid): | 7519 |
| Pubchem (sid): | 134972719 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C01403 |
| HMDB (The Human Metabolome Database): | HMDB33895 |
| FooDB: | FDB012090 |
| Export Tariff Code: | 2909.30.6000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 108.13996124268 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.289 to 8.339 |
| Refractive Index | 1.516 to 1.519 @ 20 °C |
| Melting Point | -38 to -37°C @ 760 mm Hg |
| Boiling Point | 153 to 155°C @ 760 mm Hg |
| Vapor Pressure | 3.54 mmHg @ 25 °C |
| Vapor Density | 3.7 |
| Flash Point TCC Value | 51.67 °C TCC |
| logP (o/w) | 2.11 |
| Solubility | |
| alcohol | Yes |
| ether | Yes |
| water, 1040 mg/L @ 25 °C (exp) | Yes |
| Stability | |
| non-discoloring in most media | Unspecified |
Organoleptic Properties
| Odor Type: Phenolic | |
| phenolic, gasoline, ethereal, anise | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1987) | At 1.00 % in dipropylene glycol. phenolic gasoline ethereal anise |
| Flavor Type: Aromatic | |
| aromatic, acrylate, acetone, plastic | |
| Luebke, William tgsc, (1987) | Aromatic acrylate acetone plastic |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Hawthorn , Hay new mown hay , Lilac |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. 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 [sex: M,F] 3700 mg/kg (Taylor et al., 1964) oral-rat LD50 [sex: M,F] 3700 mg/kg (Bär & Griepentrog, 1967) oral-rat LD50 [sex: M,F] 3700 mg/kg (Jenner et al., 1964) oral-mouse LD50 2800 mg/kg BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 400, 1946. oral-rat LD50 3700 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS KIDNEY, URETER, AND BLADDER: HEMATURIA Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964. intraperitoneal-rat LDLo 500 mg/kg Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 > 5000 mg/m3 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 43, 1984. inhalation-mouse LC50 3021 mg/m3/2H Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 43, 1984. | |
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 anisole usage levels up to: | |||
| 0.6000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.024 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (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: | - | 34.00000 | |
| beverages(nonalcoholic): | - | 9.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 16.00000 | |
| fruit ices: | - | 16.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 51.00000 | |
| 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: | - | - | |
| 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 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000 View page or View pdf |
| Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA 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 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010) View page or View pdf |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):100-66-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7519 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2222 |
| WGK Germany:2 |
| anisole |
| Chemidplus:0000100663 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:100-66-3 |