Articles:
| PubMed: | Identification of the key odorants in Tahitian cured vanilla beans (Vanilla tahitensis) by GC-MS and an aroma extract dilution analysis. |
Notes:
Found in fruits, Bourbon vanilla and Tahiti vanilla. Used in flavour industry
| Fragrance Demo Formulas Flavor Demo Formulas | ||
| Name: | (4-methoxyphenyl)methyl acetate | |
| CAS Number: | 104-21-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 203-185-8 | |
| FDA UNII: | 2GEC7KBO31 | |
| Nikkaji Web: | J31.561C | |
| MDL: | MFCD00048211 | |
| FEMA Number: | 2098 | |
| CoE Number: | 209 | |
| XlogP3: | 1.90 (est) | |
| Molecular Weight: | 180.20324000 | |
| Formula: | C10 H12 O3 | |
| 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: | 873 anisyl acetate |
| Flavis Number: | 09.019 (Old) |
| DG SANTE Food Flavourings: | 09.019 p-anisyl acetate |
| FEMA Number: | 2098 anisyl acetate |
| FDA Mainterm: | ANISYL ACETATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 1.10300 to 1.11100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.178 to 9.245 |
| Specific Gravity: | 1.10400 to 1.11200 @ 20.00 °C. |
| Pounds per Gallon - est.: | 9.197 to 9.264 |
| Refractive Index: | 1.55100 to 1.55500 @ 20.00 °C. |
| Boiling Point: | 137.00 °C. @ 12.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.021000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 1.887 (est) |
| 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: | |
| alcohol | |
| dipropylene glycol | |
| fixed oils | |
| water, 782.9 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| glycerin | |
| propylene glycol | |
| Stability: | |
| bath foam | |
| cream | |
| detergent | |
| hair spray | |
| lotion | |
| non-discoloring in most media | |
| powder | |
| soap | |
| Similar Items: note | |
| para-anisyl acetoacetate | |
Organoleptic Properties:
| Odor Type: | powdery |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | sweet powdery balsam vanilla fruity plum cherry tonka |
| Substantivity: | 100 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety Information:
| Most important hazard(s): | |
| None - None found. | |
|
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| Human Experience: | 4 % solution: no skin irritation. |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 [sex: M,F] 2250 mg/kg (Weir & Wong, 1971b) | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 5000 mg/kg (Weir & Wong, 1971b) | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Recommendation for para-anisyl acetate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 50.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 300.00 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 12.00000 | |
| beverages(nonalcoholic): | - | 6.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 30.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 8.00000 | |
| fruit ices: | - | 8.00000 | |
| gelatins / puddings: | - | 11.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 15.00000 | |
| 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) 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 |
| EPA Substance Registry Services (TSCA): | 104-21-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7695 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (4-methoxyphenyl)methyl acetate | |
| Chemidplus: | 0000104212 |
References:
| (4-methoxyphenyl)methyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 104-21-2 |
| Pubchem (cid): | 7695 |
| Pubchem (sid): | 134972724 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB33761 |
| FooDB: | FDB011898 |
| Export Tariff Code: | 2915.39.4550 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| RSC Learn Chemistry: | View |
Potential Blenders and core components note
Potential Uses:
| acacia | FR | |
| acacia | FR | |
| almond blossom | FR | |
| anise | FR | |
| balsam | FR | |
| castoreum | FR | |
| cherry | FR | |
| chocolate cocoa | FL | |
| coconut | FR | |
| cream | FR | |
| currant black currant | FR | |
| cyclamen | FR | |
| fig | FR | |
| floral | FR | |
| fruit | FR | |
| gardenia | FR | |
| hawthorn | FR | |
| heliotrope | FR | |
| honey | FR | |
| honeysuckle | FR | |
| juniper berry | FR | |
| licorice | FR | |
| lilac | FR | |
| mimosa | FR | |
| oriental | FR | |
| powder | FR | |
| raspberry | FR | |
| vanilla | FR | |
| vermouth | FL | |
| violet | FR |
Occurrence (nature, food, other): note
| almond flower Search Trop Picture | |
| cananga oil china @ 0.14% Data GC Search Trop Picture | |
| cassie absolute @ 0.13% Data GC Search Trop Picture | |
| clavija euerganea Search Trop Picture | |
| clavija repanda Search Trop Picture | |
| jacquinia keyensis Search Trop Picture | |
| jacquinia macrocarpa Search Trop Picture | |
| jacquinia sprucei Search Trop Picture | |
| liparis viridiflora Search Trop Picture | |
| osmanthus absolute @ 0.003% Data GC Search Trop Picture | |
| theophrasta americana Search Trop Picture |
Synonyms:
| acetic acid 4-methoxy-benzyl ester | |
| anisyl acetate | |
| 4- | anisyl acetate |
| nat. | anisyl acetate |
| p- | anisyl acetate |
| anisyl acetate (natural) | |
| anisyl acetate FCC | |
| anisyl acetate natural | |
| anisyl acetate, natural | |
| anisyl alcohol acetate | |
| benzenemethanol, 4-methoxy-, acetate | |
| benzyl alcohol, p-methoxy-, acetate | |
| cassie ketone | |
| 1- | methoxy-4-acetoxymethylbenzene |
| 4- | methoxybenzenene methyl acetate |
| 4- | methoxybenzenenemethyl acetate |
| 4- | methoxybenzyl acetate |
| p- | methoxybenzyl acetate |
| para- | methoxybenzyl acetate |
| methoxybenzyl acetate, p- | |
| p- | methoxybenzyl alcohol acetate |
| para- | methoxybenzyl alcohol acetate |
| (4- | methoxyphenyl)methyl acetate |