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dihydroanethol
General Material Information
| Preferred name | dihydroanethol |
| Trivial Name | 4-Propylanisole |
| Short Description | p-propylanisole |
| Formula | C10 H14 O |
| CAS Number | 104-45-0 |
| FEMA Number | 2930 |
| Flavis Number | 4.039 |
| ECHA Number | 203-203-4 |
| FDA UNII | 932XJ1O77X |
| Nikkaji Number | J22.133C |
| Beilstein Number | 2042121 |
| MDL | MFCD00027121 |
| COE Number | 11835 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1244 p-propylanisole |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 104-45-0 ; P-PROPYLANISOLE |
| 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): | HMDB32626 |
| FooDB: | FDB010570 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 150.22077941895 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.822 to 7.847 |
| Refractive Index | 1.503 to 1.506 @ 20 °C |
| Boiling Point | 212 to 213°C @ 760 mm Hg |
| Boiling Point | 104 to 107°C @ 20 mm Hg |
| Vapor Pressure | 0.266 mmHg @ 25 °C |
| Flash Point TCC Value | 90 °C TCC |
| logP (o/w) | 3.656 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 | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 63.36 mg/L @ 25 °C (est) | Yes |
| glycerin | No |
| propylene glycol | No |
| water | No |
Organoleptic Properties
| Odor Type: Anisic | |
| sweet, anise, licorice, sassafrass, fennel, licorice black licorice, herbal, root beer | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1993) | At 10.00 % in dipropylene glycol. sweet anise licorice sassafrass fennel |
| Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 1.00 % in ethyl alcohol. Intense, lingering sweet anise, licorice with an herbal fennel nuance. It is reminiscent of black cough drops and root beer |
| Flavor Type: Herbal | |
| herbal, fennel, sweet, licorice black licorice, sassafrass, anise, spicy, basil | |
| Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 1.00 - 15.00 ppm. Intense herbal fennel sweetness reminiscent of black licorice, sassafras and anise. It has slight spicy basil-like nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Anise , Apple blossom , Apricot , Basil oil replacer , Blueberry , Carnation , Cherry , Clover , Fennel , Fern , Gardenia , Gooseberry , Hay new mown hay , Heliotrope , Herbal , Honey , Honeysuckle , Hyacinth , Jasmin , Licorice , Lilac , Lily , Magnolia , Mimosa , Mint , Pizza , Quince , Root beer , Sassafras , Spice , Strawberry , Tuberose , Vanilla , Violet , Wallflower , Wintergreen , Woody , Ylang ylang |
| Flavoring purposes | Absinthe , Beer birch beer , Cheese gouda cheese , Nut |
| Other purposes | Azzaro , Cattle feed , Detergents , Metropolis , Myrrhis odorata , Tuscany |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
| R 36/38 - Irritating to skin and eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 4), H227 Acute toxicity, Oral (Category 5), H303 Acute aquatic toxicity (Category 2), H401 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | 104-45-0 |
| Hazard statement(s) | |
| H227 - Combustible liquid H303 - May be harmfulif swallowed H401 - Toxic to aquatic life H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P370 + P378 - In case of fire: Use appropriate media to extinguish. P391 - Collect spillage. Hazardous to the aquatic environment P403 + P235 - Store in a well-ventilated place. Keep cool. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 6 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M,F] 4400 mg/kg (Taylor et al., 1964) oral-rat LD50 [sex: M,F] 4400 mg/kg (Jenner et al., 1964) oral-rat LD50 [sex: M,F] 4400 mg/kg (Bär & Griepentrog, 1967) oral-mouse LD50 7300 mg/kg (Jenner et al., 1964) oral-mouse LD50 7300 mg/kg SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE SKIN AND APPENDAGES (SKIN): HAIR: OTHER SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-rat LD50 4400 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 789, 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 dihydroanethol usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 20.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 114.00 (μg/capita/day) | ||
| Structure Class: | III | ||
| 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: | - | 67.00000 | |
| beverages(nonalcoholic): | - | 4.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 9.90000 | |
| fruit ices: | - | 9.90000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 64.00000 | |
| 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 |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):104-45-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7702 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 1-methoxy-4-propylbenzene |
| Chemidplus:0000104450 |
| RTECS:BZ9450000 for cas# 104-45-0 |