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estragole
General Material Information
| Preferred name | estragole |
| Trivial Name | Estragole |
| Short Description | p-methoxyallylbenzene |
| Formula | C10 H12 O |
| CAS Number | 140-67-0 |
| Deleted CAS Number | 1407-27-8 |
| FEMA Number | 2411 |
| ECHA Number | 205-427-8 |
| FDA UNII | 9NIW07V3ET |
| Nikkaji Number | J5.794K |
| Beilstein Number | 1099454 |
| MDL | MFCD00008653 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1789 estragole |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 140-67-0 ; ESTRAGOLE |
| 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
| 1-methoxy-4-prop-2-enylbenzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 140-67-0 |
| Pubchem (cid): | 8815 |
| Pubchem (sid): | 134974928 |
| Flavornet: | 140-67-0 |
| 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 |
| KEGG (GenomeNet): | C10452 |
| HMDB (The Human Metabolome Database): | HMDB34121 |
| FooDB: | FDB012392 |
| 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 | 148.20483398438 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.03 to 8.113 |
| Refractive Index | 1.521 to 1.525 @ 20 °C |
| Boiling Point | 215 to 216°C @ 760 mm Hg |
| Boiling Point | 97 to 97.5°C @ 12 mm Hg |
| Vapor Pressure | 0.21 mmHg @ 25 °C |
| Vapor Density | 5.9 |
| Flash Point TCC Value | 81.11 °C TCC |
| logP (o/w) | 3.151 est |
| Solubility | |
| alcohol | Yes |
| water, 84.55 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Anisic | |
| sweet, sassafrass, anise, spicy, green, herbal, fennel, phenolic, minty | |
| Odor strength | medium |
| Substantivity | 8 hour(s) at 100.00 % |
| Luebke, William tgsc, (1986) | At 10.00 % in propylene glycol. sweet sassafrass anise spice green herbal fennel |
| Mosciano, Gerard P&F 16, No. 5, 71, (1991) | Sweet, phenolic, anise, harsh, spice, green, herbal, minty |
| Flavor Type: Licorice | |
| sweet, licorice, phenolic, weedy, spicy, celery | |
| Mosciano, Gerard P&F 16, No. 5, 71, (1991) | At 10.00 ppm. Sweet, licorice, phenolic, weedy, spice, celery-like |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Anise , Basil oil replacer , Bayberry , Cherry , Chypre , Fennel , Fern , Green , Herbal , Licorice , Root beer , Vanilla , Woody , Ylang ylang |
| Other purposes | Topnotes |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin R 40/22 - Limited evidence of a carcinogenic effect, harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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: | |
| 3 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 1230 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 603, 1976. intraperitoneal-rat LD50 1030 mg/kg BEHAVIORAL: ANTIPSYCHOTIC Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 1465, 1958. oral-mouse LD50 1250 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. intraperitoneal-mouse LD50 1260 mg/kg BEHAVIORAL: ANTIPSYCHOTIC Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 1465, 1958. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 603, 1976. | |
| 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 | |||
| IFRA Critical Effect: | |||
| Dermal sensitization and systemic toxicity | |||
| IFRA fragrance material specification: | |||
| The total concentration of Estragole should not exceed the following limitations in the finished product: Fine fragrance and Eau de Toilette: 0.2% Other leave on and rinse-off cosmetic products: 0.01% Non skin and non cosmetic products: 0.2% | |||
| View the IFRA Standard | |||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.012 % | |||
| Category 2: Products applied to the axillae | |||
| 0.023 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.012 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.42 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 0.075 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.0062 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.012 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.0021 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.031 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.012 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.012 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.0021 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.050 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.050 % | |||
| Category 10B: Household aerosol/spray products | |||
| 0.050 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 0.0021 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.0021 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| 1.50 % | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| 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: | - | 41.00000 | |
| beverages(nonalcoholic): | - | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 150.00000 | |
| condiments / relishes: | - | 2.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 11.00000 | |
| fruit ices: | - | 11.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 36.00000 | |
| 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
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Carcinogenic Potency Database:Search |
| EPA Substance Registry Services (TSCA):140-67-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8815 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1-methoxy-4-prop-2-enylbenzene |
| Chemidplus:0000140670 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:BZ8225000 for cas# 140-67-0 |