| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 121-98-2 |
| ECHA EC Number: | 204-513-2 |
| FDA UNII: | 2MFL7873W9 |
| CoE Number: | 248 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | methyl para-anisate |
| InChI : | InChI=1/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 |
| Std.InChI: | InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 |
| InChIKey : | DDIZAANNODHTRB-UHFFFAOYAF |
| Std.InChIKey: | DDIZAANNODHTRB-UHFFFAOYSA-N |
| SMILES : | COC1=CC=C(C=C1)C(=O)OC |
| MDL: | MFCD00008437 |
| Molar Refractivity : | 44.70 ± 0.3 cm3 (est) |
| Parachor : | 368.7 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.502 ± 0.02 (est) |
| Surface Tension : | 35.2 ± 3.0 dyne/cm (est) |
| Density : | 1.098 ± 0.06 g/cm3 (est) |
| Polarizability : | 17.72 ± 0.5 10-24cm3 (est) |
| 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: | 884 methyl anisate |
| DG SANTE Food Flavourings: | 09.713 methyl 4-methoxybenzoate |
| FEMA Number: | 2679 methyl p-anisate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 121-98-2 ; METHYL ANISATE |
| 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. | |
| Appearance: | white crystallin powder (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 48.00 to 50.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 244.00 to 245.00 °C. @ 760.00 mm Hg |
| Congealing Point: | 47.50 °C. |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.016000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 2.270 |
| Soluble in: | |
| alcohol | |
| water, 643 mg/L 20 °C (exp) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| methyl 3-methoxybenzoate | |
| methyl 2-methoxybenzoate | |
| ethyl para-anisate | |
| hexyl para-anisate | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Advanced Biotech |
| METHYL ANISATE NATURAL |
| Anhui Haibei |
| Methyl P-anisate natural Odor: Herbal anise sweet |
| Bell Flavors & Fragrances |
| Natural Methyl Anisate |
| BOC Sciences |
| For experimental / research use only. |
| Methyl Anisate 99.0% (sum of isomers) |
| Global Essence |
| Methyl Anisate |
| Inoue Perfumery |
| METHYL ANISATE |
| Lluch Essence |
| METHYL PARA ANISATE |
| M&U International |
| NAT.METHYL ANISATE, Kosher |
| Matrix Scientific |
| For experimental / research use only. |
| Methyl 4-methoxybenzoate, 95+% |
| Pearlchem Corporation |
| Natural Methyl Anisate |
| Penta International |
| METHYL ANISATE (Methyl-P-Anisate) |
| Penta International |
| METHYL ANISATE NATURAL |
| Seqens |
| Methyl Anisate, Kosher |
| Sigma-Aldrich |
| Methyl p-anisate, ≥99%, FG Odor: anise; chocolate; creamy; melon; fruity; sweet; vanilla; spicy; woody |
| Certified Food Grade Products |
| Sunaux International |
| nat.Methyl Anisate |
| Symphony Pharma |
| For experimental / research use only. |
| Methyl-4-methoxy-benzoate |
| Synerzine |
| Methyl p-anisate |
| TCI AMERICA |
| For experimental / research use only. |
| Methyl p-Anisate >99.0%(GC) |
| WholeChem |
| Methyl Anisate |
| Preferred SDS: View | |
| European 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. | |
| 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: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Levenstein, 1975k) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 481, 1976. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 481, 1976. | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 methyl para-anisate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.97 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (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: | - | 6.20000 | |
| beverages(nonalcoholic): | - | 2.70000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.00000 | |
| fruit ices: | - | 3.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 8.00000 | |
| 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: | - | - | |
| 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 54 (FGE.54)[1] - Consideration of 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) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food 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 |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of 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.20Rev1 (2009) 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 |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):121-98-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8499 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| methyl 4-methoxybenzoate |
| Chemidplus:0000121982 |
| RTECS:BZ4925000 for cas# 121-98-2 |
| methyl 4-methoxybenzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 121-98-2 |
| Pubchem (cid): | 8499 |
| Pubchem (sid): | 134973371 |
| Pherobase: | View |
| (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 |
| HMDB (The Human Metabolome Database): | HMDB32639 |
| FooDB: | FDB010588 |
| Export Tariff Code: | 2918.99.4700 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| anise star anise fruit Search Trop Picture | |
| anise star anise seed Search Trop Picture | |
| cassie absolute @ 0.31% Data GC Search Trop Picture | |
| cocoa Search Trop Picture | |
| feijoa fruit Search Trop Picture | |
| guava pineapple guava Search Trop Picture | |
| mushroom Search PMC Picture | |
| tea black tea Search Trop Picture | |
| vanilla Search Picture | |
| wine white wine Search Picture | |
| ylang ylang oil @ 0.06% Data GC Search Trop Picture |
| p- | anisic acid methyl ester |
| para- | anisic acid methyl ester |
| p- | anisic acid, methyl ester |
| benzoic acid, 4-methoxy-, methyl ester | |
| menthyll anisate | |
| 4- | methoxybenzoic acid methyl ester |
| para- | methoxybenzoic acid methyl ester |
| methyl 4-methoxybenzoate | |
| methyl anisate | |
| nat. | methyl anisate |
| methyl anisate natural | |
| methyl p-anisate | |
| methyl p-methoxy benzoate | |
| methyl p-methoxybenzoate | |
| methyl para-methoxybenzoate | |
| methyl-4-methoxybenzoate |
