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| IUPAC name : | methyl 2-methylprop-2-enoate |
| InChI : | InChI=1/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3 |
| InChIKey : | VVQNEPGJFQJSBK-UHFFFAOYAN |
| SMILES : | CC(=C)C(=O)OC |
| cas number : | 80-62-6 |
| (EINECS) number : | 201-297-1 |
| eu annex : | 607-035-00-6 |
| beilstein number : | 0605459 |
| fema number : | 4002 |
| jecfa number : | 1834 |
| fl. number : | 09.647 |
| molar refractivity : | 26.55 ± 0.3 cm3 |
| parachor : | 240.9 ± 4.0 cm3 |
| index of refraction : | 1.400 ± 0.02 |
| surface tension : | 23.5 ± 3.0 dyne/cm |
| density : | 0.914 ± 0.06 g/cm3 |
| polarizability : | 10.52 ± 0.5 10-24cm3 |
| XlogP : | 0.70 |
| molecular weight : | 100.1158200 (IUPAC) |
| formula : | C5 H8 O2 |
| BioActivity Analysis : | 17389829 |
| NMR Predictor : | Predict |
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| export tariff code : | 2916.14.0020 |
| fda reg : | 175.105 175.300 175.320 175.360 176.170 176.180 177.1010 177.1030 177.1200 177.1630 177.1830 177.2000 177.2420 177.2465 178.3790 |
Suppliers :
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| Penta : | methyl methacrylate
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| Sigma-Aldrich-SAFC : | Methyl methacrylate
≥98.5% |
organoleptics :
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| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in dipropylene glycol. | acrylic aromatic fruity |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93400 to 0.93800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.772 to 7.805
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| refractive index : | 1.41100 to 1.41700 @ 20.00 °C.
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| melting point : | -49.00 to -47.00 °C. @ 760.00 mm Hg
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| boiling point : | 98.00 to 100.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 38.50000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.5 ( Air = 1 ) |
| flash point : | 49.00 °F. TCC ( 9.44 °C. )
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| logP (o/w) : | 1.38 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 11 - Highly flammable. R 37/38 - Irritating to respiratory system and skin. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. S 46 - If swallowed, seek medical advice immediately and show this container or label.
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| Oral Toxicity(LD50) : |
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Oral-Rat 7872.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5.00 gm/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) : | 0.061 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 3900 (μg/person/day) |
| Threshold of concern : | 540 (μg/person/day) |
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| recommendation for methyl methacrylate usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| 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 on the "LIBRARY" link. |
| publication number : 20 |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 2.00000 | 10.00000 |
| beverages(alcoholic) : | 4.00000 | 20.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | 4.00000 | 20.00000 |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | 2.00000 | 10.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 2.00000 | 10.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
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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) : | 7.00000 | 35.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) : | 5.00000 | 25.00000 |
| Edible ices, including sherbet and sorbet (03.0) : | 10.00000 | 50.00000 |
| Processed fruit (04.1) : | 7.00000 | 35.00000 |
| 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) : | 5.00000 | 25.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : | 5.00000 | 25.00000 |
| 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) : | 5.00000 | 25.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : | 10.00000 | 50.00000 |
| Ready-to-eat savouries (15.0) : | 20.00000 | 100.00000 |
| 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 |
| EPA-Iris : | IRIS |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| IFRA : | IFRA - ( Found under : Other materials ) |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1247 |
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| WGK Germany : | 1 |
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| | methyl 2-methylprop-2-enoate
|
| (EINECS) number : | 201-297-1 |
| RTECS : | 80-62-6 |
| chemidplus : | 000080626 |
| EPA Substance Registry Services : | 80-62-6 |
| dtp/nci : | 4769 |
references :
|
| | methyl 2-methylprop-2-enoate
|
| fl. number : | 09.647 |
| jecfa number : | 1834 |
| NIST Chemistry WebBook : | 80626 |
| pubchem : | 149634 |
other :
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| Household Products : | Search |