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| IUPAC name : | methoxymethylbenzene |
| InChI : | InChI=1/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey : | GQKZBCPTCWJTAS-UHFFFAOYAD |
| SMILES : | COCC1=CC=CC=C1 |
| cas number : | 538-86-3 |
| (EINECS) number : | 208-705-7 |
| coe number : | 10910 |
| fl. number : | 03.011 |
| molar refractivity : | 37.54 ± 0.3 cm3 |
| parachor : | 303.5 ± 4.0 cm3 |
| index of refraction : | 1.495 ± 0.02 |
| surface tension : | 31.0 ± 3.0 dyne/cm |
| density : | 0.949 ± 0.06 g/cm3 |
| polarizability : | 14.88 ± 0.5 10-24cm3 |
| XlogP : | 1.70 |
| XlogP3 : | 1.90 |
| molecular weight : | 122.1644000 (IUPAC) (PT) (112) |
| formula : | C8 H10 O |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2909.30.0000 |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | Benzyl methyl ether
orders in chinese. |
| Penta : | benzyl methyl ether
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| Pfaltz & Bauer : | Benzyl Methyl Ether
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| TCI AMERICA : | Benzyl Methyl Ether
>97.0%(GC) |
organoleptics :
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| odor type : | fruity |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | fruity ethereal ylang green floral hyacinth Luebke, William tgsc, (1989) |
| odor sample from : | Givaudan Corporation |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95800 to 0.96500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.972 to 8.030
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| refractive index : | 1.49800 to 1.50500 @ 20.00 °C.
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| boiling point : | 170.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 1.50000 mm/Hg @ 25.00 °C. |
| flash point : | 130.00 °F. TCC ( 54.44 °C. )
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| logP (o/w) : | 1.92 |
safety :
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 1.90 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 3000 (μg/person/day) |
| Threshold of concern : | 540 (μg/person/day) |
| Structure Class : | II |
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| recommendation for benzyl methyl ether fragrance 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 (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 |
| 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... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3271 |
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| WGK Germany : | 3 |
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| | methoxymethylbenzene |
| (EINECS) number : | 208-705-7 |
| chemidplus : | 000538863 |
| EPA Substance Registry Services : | 538-86-3 |
| dtp/nci : | 8058 |
references :
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| | methoxymethylbenzene |
| fl. number : | 03.011 |
| NIST Chemistry WebBook : | 2588374133 |
| pubchem : | 154173 |
| Flavornet : | 538-86-3 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FMA : | listed |