Articles:
Notes:
Present in anise, fennel and other plant oils. Extensively used in flavour industry
| Fragrance Demo Formulas Flavor Demo Formulas | ||
| Name: | 1-methoxy-4-[(E)-prop-1-enyl]benzene | |
| CAS Number: | 4180-23-8 |  3D/inchi
|
| Other: | 109957-71-3 | |
| ECHA EINECS - REACH Pre-Reg: | 224-052-0 | |
| FDA UNII: | Q3JEK5DO4K | |
| Nikkaji Web: | J61.645A | |
| Beilstein Number: | 0636190 | |
| MDL: | MFCD00009284 | |
| FEMA Number: | 2086 | |
| CoE Number: | 183 | |
| XlogP3: | 3.30 (est) | |
| Molecular Weight: | 148.20484000 | |
| Formula: | C10 H12 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 217 trans-anethol |
| Flavis Number: | 04.010 (Old) |
| DG SANTE Food Flavourings: | 04.010 1-methoxy-4-(prop-1(trans)-enyl)benzene |
| FEMA Number: | 2086 trans-anethol |
| FDA Mainterm: | TRANS-ANETHOLE |
| FDA Regulation: | |
| FDA PART 182 -- SUBSTANCES GENERALLY RECOGNIZED AS SAFE Subpart A--General Provisions Sec. 182.60 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | white colorless crystals (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.98300 to 0.98800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.180 to 8.221 |
| Specific Gravity: | 0.98400 to 0.99100 @ 20.00 °C. |
| Pounds per Gallon - est.: | 8.197 to 8.256 |
| Refractive Index: | 1.55800 to 1.59000 @ 20.00 °C. |
| Optical Rotation: | -2.00 to +2.00 |
| Melting Point: | 21.00 to 23.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 234.00 to 237.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.069000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 195.00 °F. TCC ( 90.56 °C. ) |
| logP (o/w): | 3.390 |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| acetone | |
| ethyl acetate | |
| ethyl alcohol, 8 vol. of 80% and 1 vol of 90% alcohol | |
| paraffin oil | |
| water, 98.68 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| acid cleaner | |
| avoid iron drums | |
| deo stick | |
| detergent perborate | |
| fabric softener | |
| hard surface cleaner | |
| non-discoloring in most media | |
| shampoo | |
| stable in most media | |
| store in light resistant containers | |
| Similar Items: note | |
| anethol | |
| (Z)-anethol | |
| dihydroanethol | |
Organoleptic Properties:
| Odor Type: | licorice |
| Odor Strength: | high , recommend smelling in a 10.00 % solution or less |
| Odor Description: at 10.00 % in dipropylene glycol. | sweet anise licorice mimosa Luebke, William tgsc, (1995) |
| Substantivity: | 20 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety Information:
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
|
R 43 - May cause sensitisation by skin contact. 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 - Avoid contact with skin. S 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 2090 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. intraperitoneal-rat LD50 900 mg/kg Therapie. Vol. 22, Pg. 309, 1967. oral-mouse LD50 3050 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. intraperitoneal-mouse LD50 650 mg/kg Therapie. Vol. 22, Pg. 309, 1967. oral-guinea pig LD50 2167 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Recommendation for (E)-anethol usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| 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: | - | 150.00000 | |
| beverages(nonalcoholic): | - | 11.00000 | |
| beverages(alcoholic): | - | 1400.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 1500.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 26.00000 | |
| fruit ices: | - | 26.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 340.00000 | |
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of trans-anethole used as a flavor ingredient.View pdf | |
| European Food Safety Authority (EFSA) reference(s): | |
| Scientific Opinion on the safety and efficacy of allylhydroxybenzenes (chemical group 18) when used as flavourings for all animal species View page or View pdf | |
| Review of substances/agents that have direct beneficial effect on the environment: mode of action and assessment of efficacy View page or View pdf | |
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| Toxicology Citations: | Search |
| Carcinogenic Potency Database: | Search |
| Env. Mutagen Info. Center: | Search |
| EPA Substance Registry Services (TSCA): | 4180-23-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 637563 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 1-methoxy-4-[(E)-prop-1-enyl]benzene | |
| Chemidplus: | 0004180238 |
| RTECS: | BZ9275000 for cas# 4180-23-8 |
References:
| 1-methoxy-4-[(E)-prop-1-enyl]benzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4180-23-8 |
| Pubchem (cid): | 637563 |
| Pubchem (sid): | 134984765 |
| Pherobase: | View |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C10428 |
| HMDB (The Human Metabolome Database): | HMDB30837 |
| FooDB: | FDB002793 |
| Export Tariff Code: | 2906.19.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| RSC Learn Chemistry: | View |
| Formulations/Preparations: grades: usp (technical); fcc (food chemicals codex). | |
Potential Blenders and core components note
Potential Uses:
| absinthe | FL | |
| acacia | FR | |
| anise | FR | |
| apple blossom | FR | |
| apricot | FR | |
| azzaro | ||
| basil oil replacer | FR | |
| beer birch beer | FL | |
| blueberry | FR | |
| carnation | FR | |
| cattle feed | ||
| cheese gouda cheese | FL | |
| cherry | FR | |
| clover | FR | |
| detergents | ||
| fennel | FR | |
| fern | FR | |
| gardenia | FR | |
| gooseberry | FR | |
| hay new mown hay | FR | |
| heliotrope | FR | |
| honey | FR | |
| honeysuckle | FR | |
| hyacinth | FR | |
| jasmin | FR | |
| licorice | FR | |
| lilac | FR | |
| lily | FR | |
| magnolia | FR | |
| metropolis | ||
| mimosa | FR | |
| mint | FR | |
| myrrhis odorata | ||
| nut | FL | |
| pizza | FR | |
| quince | FR | |
| root beer | FR | |
| sassafras | FR | |
| strawberry | FR | |
| tuberose | FR | |
| tuscany | ||
| vanilla | FR | |
| violet | FR | |
| wallflower | FR | |
| woody | FR | |
| ylang ylang | FR |
Occurrence (nature, food, other): note
| ajowan seed oil turkey @ trace% Data GC Search Trop Picture | |
| allspice plant Search Trop Picture | |
| anise Search Trop Picture | |
| anise leaf oil Search Trop Picture | |
| anise oil Search Trop Picture | |
| anise plant Search Trop Picture | |
| anise root Search Trop Picture | |
| anise seed Search Trop Picture | |
| anise seed Search Trop Picture | |
| anise seed oil Search Trop Picture | |
| anise seed oil colombia @ 95.57% Data GC Search Trop Picture | |
| anise seed oil star china @ 87.89% Data GC Search Trop Picture | |
| anise shoot Search Trop Picture | |
| anise shoot oil Search Trop Picture | |
| anise star anise Search Trop Picture | |
| anise star anise fruit Search Trop Picture | |
| anise star anise plant Search Trop Picture | |
| anise tissue culture Search Trop Picture | |
| avocado bark Search Trop Picture | |
| avocado leaf Search Trop Picture | |
| backhousia anisata Search Trop Picture | |
| basil flower oil sweet @ 0.01% Data GC Search Trop Picture | |
| basil leaf oil sweet (ocimum basilicum) @ 0.01% Data GC Search Trop Picture | |
| basil oil Search Trop Picture | |
| basil plant Search Trop Picture | |
| basil shoot oil Search Trop Picture | |
| bay laurel leaf oil turkey @ 0.10% Data GC Search Trop Picture | |
| bay leaf oil anise @ 0.2% Data GC Search Trop Picture | |
| carrot seed oil @ 0.08% Data GC Search Trop Picture | |
| celery plant Search Trop Picture | |
| champaca concrete @ trace% Data GC Search Trop Picture | |
| clausena anisata hook leaves Search Trop Picture | |
| clausena anisata hook. f. leaf oil @ 0.00-1.30% Data GC Search Trop Picture | |
| clove bud Search Trop Picture | |
| clove fruit Search Trop Picture | |
| coriander fruit Search Trop Picture | |
| coriander seed from 1.00 to 2.00 ppm Search Trop Picture | |
| dill plant Search Trop Picture | |
| dill seed Search Trop Picture | |
| dill seed from 12.00 to 39.00 ppm Search Trop Picture | |
| fennel Search Trop Picture | |
| fennel absolute sweet @ 4.70% Data GC Search Trop Picture | |
| fennel flower oil Search Trop Picture | |
| fennel flower oil bitter lithuania @ 52.65% Data GC Search Trop Picture | |
| fennel leaf oil Search Trop Picture | |
| fennel oil Search Trop Picture | |
| fennel plant Search Trop Picture | |
| fennel plant at 50.00 ppm Search Trop Picture | |
| fennel root oil Search Trop Picture | |
| fennel seed Search Trop Picture | |
| fennel seed oil Search Trop Picture | |
| fennel seed oil bitter lithuania @ 50.10% Data GC Search Trop Picture | |
| fennel seed oil bitter spain @ 28.80% Data GC Search Trop Picture | |
| fennel seed oil sweet @ 87.08% Data GC Search Trop Picture | |
| fennel sprout Search Trop Picture | |
| foeniculum vulgare piperitum oil @ 0.30% Data GC Search Trop Picture | |
| heracleum paphlagonicum czeczott fruit oil turkey @ 2.50% Data GC Search Trop Picture | |
| hyssop oil @ 0.3% Data GC Search Trop Picture | |
| lavender oil @ 0.15% Data GC Search Trop Picture | |
| lemon balm shoot Search Trop Picture | |
| lovage root Search Trop Picture | |
| magnolia salicifolia maxim. Search Trop Picture | |
| marjoram oil Search Trop Picture | |
| marjoram oil sweet cyprus @ 0.10-0.50% Data GC Search Trop Picture | |
| marjoram oil sweet turkey @ 0.01-0.05% Data GC Search Trop Picture | |
| marjoram plant Search Trop Picture | |
| marjoram wild marjoram plant Search Trop Picture | |
| mastic fruit oil @ 0.02% Data GC Search Trop Picture | |
| mastic leaf oil @ trace% Data GC Search Trop Picture | |
| mustard white mustard Search Trop Picture | |
| oregano plant Search Trop Picture | |
| peppermint leaf Search Trop Picture | |
| peppermint leaf from 0.001 to 0.01 ppm Search Trop Picture | |
| petitgrain mandarin oil @ 0.03% Data GC Search Trop Picture | |
| plectranthus glandulosus hook f. leaf oil cameroon @ 0.10% Data GC Search Trop Picture | |
| rosemary plant Search Trop Picture | |
| tagete oil CO2 extract @ 9.98% Data GC Search Trop Picture | |
| tarragon oil Search Trop Picture | |
| tarragon oil/shoot Search Trop Picture | |
| tarragon plant Search Trop Picture | |
| tarragon shoot Search Trop Picture | |
| thyme oil Search Trop Picture | |
| ylang ylang oil @ 0.35% Data GC Search Trop Picture | |
| ylang ylang oil CO2 extract @ 0.17% Data GC Search Trop Picture | |
| ylang ylang oil I (cananga odorata hook. f. and thomas.) @ 0.19% Data GC Search Trop Picture | |
| ylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.17% Data GC Search Trop Picture | |
| ylang ylang oil III @ 0.09% Data GC Search Trop Picture |
Synonyms:
| trans- | acintene O |
| (E)- | anethol |
| trans- | anethol |
| (E)- | anethol (natural) |
| trans- | anethol 21/22 |
| anethol 21/22 FCC | |
| trans- | anethol 21/22 FCC |
| anethol 21/22 natural | |
| anethol B21 (ex star anise) | |
| anethol de synthese | |
| anethol extra USP | |
| anethol nat ex star anise oil | |
| (E)- | anethol natural |
| anethol supra 21.5 | |
| anethol synthetic | |
| anethol USP | |
| (E)- | anethole |
| trans- | anethole |
| trans-p- | anethole |
| trans-para- | anethole |
| anethole (99.5%) | |
| anethole (natural) | |
| anethole 20/21 | |
| anethole 21/22 | |
| anethole 21/22 extra | |
| anethole 21/22 natural | |
| anethole 21/22 prima | |
| anethole 21/22 USP extra | |
| anethole ex fennel natural | |
| anethole FCC | |
| anethole FCC (natural) | |
| anethole N.F. | |
| anethole natural (trans) | |
| anethole natural (ex star anise) | |
| anethole ODL (natural) | |
| anethole synthetic | |
| anethole USP | |
| anethole-99.5% | |
| anethole, natural | |
| (E)- | anise camphor |
| trans-1-p- | anisyl propene |
| trans-1-para- | anisyl propene |
| trans-1-p- | anisylpropene |
| trans-1-para- | anisylpropene |
| benzene, 1-methoxy-4- (1-propenyl)-, (E)- | |
| benzene, 1-methoxy-4-[(1E)-1-propen-1-yl]- | |
| benzene, 1-methoxy-4-[(1E)-1-propenyl]- | |
| (E)-iso | estragole |
| (E)-4- | methoxy-1-propenyl benzene |
| 1- | methoxy-4-((1E)-1-propenyl) benzene |
| 1- | methoxy-4-((1E)-1-propenyl)benzene |
| 1- | methoxy-4-((E)-propenyl)-benzene |
| (E)-1- | methoxy-4-(1-propenyl) benzene |
| (E)-1- | methoxy-4-(1-propenyl)benzene |
| 1- | methoxy-4-(1-propenyl)benzene, (E)- |
| (E)-1- | methoxy-4-(prop-1-en-1-yl)benzene |
| 1- | methoxy-4-(prop-1(trans)-enyl)benzene |
| 1- | methoxy-4-[(1E)-1-propen-1-yl]benzene |
| 1- | methoxy-4-[(E)-prop-1-enyl]benzene |
| (E)-1- | methoxy-4-propenyl benzene |
| (E)-1- | methoxy-4-propenylbenzene |
| (E)-p- | methoxy-alpha-phenyl propene |
| (E)-para- | methoxy-alpha-phenyl propene |
| (E)-p- | methoxy-alpha-phenylpropene |
| (E)-para- | methoxy-alpha-phenylpropene |
| (E)-para- | methoxy-beta-methyl styrene |
| trans-para- | methoxy-beta-methyl styrene |
| (E)-1-para- | methoxyphenyl propene |
| (E)-1-(4- | methoxyphenyl) propene |
| trans-1-(4- | methoxyphenyl)-1-propene |
| trans-1-(para- | methoxyphenyl)-1-propene |
| (E)-1-(4- | methoxyphenyl)propene |
| (E)-1-p- | methoxyphenylpropene |
| 1-p- | methoxyphenylpropene, trans- |
| (E)-p- | methoxypropenyl benzene |
| (E)-para- | methoxypropenyl benzene |
| (E)-p- | methoxypropenylbenzene |
| (E)-para- | methoxypropenylbenzene |
| methyl 4-[(1E)-prop-1-en-1-yl]phenyl ether | |
| 1-( | methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene |
| (E)- | nauli gum |
| (E)-1- | propene, 1-(4-methoxyphenyl) |
| (E)-p- | propenyl anisole |
| (E)-para- | propenyl anisole |
| trans-para- | propenyl anisole |
| (E)-p- | propenyl phenyl methyl ether |
| (E)-para- | propenyl phenyl methyl ether |
| trans-4-(1- | propenyl) anisole |
| (E)-p- | propenylanisole |
| (E)-para- | propenylanisole |
| (E)-p- | propenylphenylmethyl ether |
| (E)-para- | propenylphenylmethyl ether |