| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 93-04-9 |
| ECHA EC Number: | 202-213-6 |
| FDA UNII: | VX2T1Z50C4 |
| CoE Number: | 4074 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | beta-naphthyl methyl ether |
| InChI : | InChI=1/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3 |
| Std.InChI: | InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3 |
| InChIKey : | LUZDYPLAQQGJEA-UHFFFAOYAR |
| Std.InChIKey: | LUZDYPLAQQGJEA-UHFFFAOYSA-N |
| SMILES : | COC1=CC2=CC=CC=C2C=C1 |
| MDL: | MFCD00004061 |
| Molar Refractivity : | 50.77 ± 0.3 cm3 (est) |
| Parachor : | 367.7 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.604 ± 0.02 (est) |
| Surface Tension : | 38.5 ± 3.0 dyne/cm (est) |
| Density : | 1.072 ± 0.06 g/cm3 (est) |
| Polarizability : | 20.12 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| 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: | 1257 beta-naphthyl methyl ether |
| DG SANTE Food Flavourings: | 04.074 2-methoxynaphthalene |
| FEMA Number: | 4704 beta-naphthyl methyl ether |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 93-04-9 ; BETA-NAPHTHYL METHYL ETHER |
| Appearance: | white crystalline flake (est) |
| Assay: | 99.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 73.00 to 75.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 274.00 °C. @ 760.00 mm Hg |
| Congealing Point: | 71.50 °C. |
| Vapor Pressure: | 0.010000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 208.00 °F. TCC ( 98.00 °C. ) |
| logP (o/w): | 3.470 |
| Shelf Life: | 36.00 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 | |
| water, 75.88 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| dipropylene glycol | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. 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) | |
| Acute aquatic toxicity (Category 2), H401 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | |
| Hazard statement(s) | |
| H401 - Toxic to aquatic life H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P273 - Avoid release to the environment. P391 - Collect spillage. Hazardous to the aquatic environment P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Levenstein, 1974h) oral-mouse LD50 [sex: M,F] 825 mg/kg (Schafer & Bowles, 1985) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 885, 1975. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 885, 1975. | |
| 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 beta-naphthyl methyl ether usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.50 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (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: 25 | |||
| Click here to view publication 25 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 13.00000 | 17.00000 | |
| beverages(nonalcoholic): | 4.00000 | 8.00000 | |
| beverages(alcoholic): | 0.10000 | 0.30000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 9.00000 | 14.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 8.00000 | 10.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 9.00000 | 11.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 3.00000 | 3.00000 | |
| 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: | 12.00000 | 14.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 3.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 | |
| Processed fruit (04.1): | 2.00000 | 10.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 3.00000 | 15.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 15.00000 | 75.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
| 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 |
| Scientific Opinion on the safety and efficacy of aromatic ethers including anisole derivatives (chemical group 26) when used as feed additives for all animal species View page or View pdf |
| Safety of 31 flavouring compounds belonging to different chemical groups when used as feed additives for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):93-04-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7119 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3082 |
| WGK Germany:2 |
| 2-methoxynaphthalene |
| Chemidplus:0000093049 |
| RTECS:QJ9468750 for cas# 93-04-9 |
| 2-methoxynaphthalene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 93-04-9 |
| Pubchem (cid): | 7119 |
| Pubchem (sid): | 134972534 |
| (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): | HMDB32861 |
| FooDB: | FDB010839 |
| Export Tariff Code: | 2909.30.6000 |
| ChemSpider: | View |
| Wikipedia: | View |
| FR | acacia |
| FR | apple |
| FR | blackberry |
| FR | bouquet |
| FR | bubble gum |
| FR | cherry |
| FR | cherry blossom |
| FR | citrus |
| FR | coffee |
| FR | cranberry |
| FR | date |
| FR | fern |
| fixer | |
| FR | floral |
| FR | gardenia |
| FR | gooseberry |
| FR | grape |
| FL | grenadine |
| FR | honeysuckle |
| FR | jasmin |
| FR | magnolia |
| FR | melon |
| FR | mulberry |
| FR | narcissus |
| FR | neroli |
| FR | orange blossom |
| FR | peach |
| FR | pineapple |
| FR | plum |
| FR | rain |
| FR | raspberry |
| FR | rose moss rose |
| FR | spring rain |
| FR | strawberry |
| FR | sweet pea |
| FL | tea |
| FL | tropical |
| FR | vanilla |
| not found in nature |
| 2- | methoxy naphthalene |
| .beta.- | methoxynaphthalene |
| 2- | methoxynaphthalene |
| beta- | methoxynaphthalene |
| methyl 2-naphthyl ether | |
| methyl beta-naphthyl ether | |
| methyl naphthalen-2-yl ether | |
| beta- | naphthol mether ether |
| 2- | naphthol methyl ether |
| 2- | naphthyl methyl ether |
| beta- | naphthyl methyl ether |
| naphthyl methyl ether 10% BB | |
| beta- | napthyl methyl ether |
| nerolin yara yara | |
| neroline yara yara | |
| yara yara | |
| yara yara crystals | |
| yara yara distilled |
| Leffingwell & Associates:Flavor Properties of FEMA GRAS List 25 flavor chemicals |
