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| IUPAC name : | 2-methoxynaphthalene |
| InChI : | InChI=1/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3 |
| InChIKey : | LUZDYPLAQQGJEA-UHFFFAOYAR |
| SMILES : | COC1=CC2=CC=CC=C2C=C1 |
| cas number : | 93-04-9 |
| (EINECS) number : | 202-213-6 |
| beilstein number : | 1859408 |
| coe number : | 4074 |
| jecfa number : | 1257 |
| fl. number : | 04.074 |
| molar refractivity : | 50.77 ± 0.3 cm3 |
| parachor : | 367.7 ± 4.0 cm3 |
| index of refraction : | 1.604 ± 0.02 |
| surface tension : | 38.5 ± 3.0 dyne/cm |
| density : | 1.072 ± 0.06 g/cm3 |
| polarizability : | 20.12 ± 0.5 10-24cm3 |
| XlogP : | 3.20 |
| molecular weight : | 158.1965000 (IUPAC) |
| formula : | C11 H10 O |
| BioActivity Analysis : | 70548 |
| NMR Predictor : | Predict |
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| export tariff code : | 2909.30.0000 |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Yara Yara Crystals
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| Fleurchem : | nerolin yara yara
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| Moellhausen : | yara yara
97% min. artifical kosher |
| Penta : | 2-methoxynaphthalene
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| Polarome : | NEROLIN YARA YARA
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| Sigma-Aldrich-SAFC : | Nerolin Yara Yara
≥99% Odor: floral; strawberry; sweet |
| Vigon : | Yara Yara
Odor: FLORAL, ORANGE FLOWER-LIKE, ACACIA-LIKE |
organoleptics :
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| odor type : | naphthyl |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | sweet naphthyl floral orange blossom acacia neroli |
| odor sample from : | Harrmann & Reimer Corporation |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | white crystalline flake |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 72.00 to 76.00 °C. @ 760.00 mm Hg
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| boiling point : | 274.00 °C. @ 760.00 mm Hg
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| congealing point : | 71.50 °C.
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| vapor pressure : | 0.00823 mm/Hg @ 25.00 °C. |
| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 3.47 |
| 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. |
safety :
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| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
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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.
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| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg (Levenstein, 1974h)
Oral-Mouse [sex: M,F] 825.00 mg/kg (Schafer & Bowles, 1985)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.01 (μg/capita/day) |
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| recommendation for beta-naphthyl methyl ether usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 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 (EFFA, 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 |
| 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 |
safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| msds : | msds |
| EPI System : | view |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3082 |
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| WGK Germany : | 3 |
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| | 2-methoxynaphthalene
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| (EINECS) number : | 202-213-6 |
| RTECS : | QJ9468750 for 93-04-9 |
| chemidplus : | 000093049 |
| EPA Substance Registry Services : | 93-04-9 |
| dtp/nci : | 4171 |
references :
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| | 2-methoxynaphthalene
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| fl. number : | 04.074 |
| jecfa number : | 1257 |
| NIST Chemistry WebBook : | 2796147149 |
| pubchem : | 150155 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1986)¹ |
| CosIng : | cosmetic data |
| | C of A |