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| IUPAC name : | methyl acetate |
| InChI : | InChI=1/C3H6O2/c1-3(4)5-2/h1-2H3 |
| InChIKey : | KXKVLQRXCPHEJC-UHFFFAOYAV |
| SMILES : | CC(=O)OC |
| cas number : | 79-20-9 |
| (EINECS) number : | 201-185-2 |
| eu annex : | 607-021-00-X |
| beilstein number : | 1736662 |
| fema number : | 2676 |
| coe number : | 213 |
| jecfa number : | 125 |
| fl. number : | 09.023 |
| molar refractivity : | 17.72 ± 0.3 cm3 |
| parachor : | 176.2 ± 4.0 cm3 |
| index of refraction : | 1.353 ± 0.02 |
| surface tension : | 21.8 ± 3.0 dyne/cm |
| density : | 0.908 ± 0.06 g/cm3 |
| polarizability : | 7.02 ± 0.5 10-24cm3 |
| XlogP : | 0.20 |
| molecular weight : | 74.0785400 (IUPAC) |
| formula : | C3 H6 O2 |
| BioActivity Analysis : | 17389638 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | 172.515 175.105 |
Suppliers :
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| Cargill - Alfrebro : | METHYL ACETATE
natural, Kosher |
| Fleurchem : | methyl acetate
natural |
| Fontarome : | METHYL ACETATE
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| Penta : | methyl acetate
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| Penta : | methyl acetate
natural |
| Sigma-Aldrich-SAFC : | Methyl acetate
≥98% Odor: ethereal; sweet |
organoleptics :
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| odor type : | ethereal |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | ether sweet 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 : | 0.92700 to 0.93200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.714 to 7.755
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| refractive index : | 1.35800 to 1.36300 @ 20.00 °C.
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| melting point : | -98.00 to -97.00 °C. @ 760.00 mm Hg
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| boiling point : | 56.00 to 58.00 °C. @ 760.00 mm Hg
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| boiling point : | 23.00 to 24.00 °C. @ 200.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 216.00000 mm/Hg @ 25.00 °C. |
| vapor density : | 2.55 ( Air = 1 ) |
| flash point : | 15.00 °F. TCC ( -9.44 °C. )
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| logP (o/w) : | 0.18 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 11 - Highly flammable. R 36 - Irritating to eyes. R 66 - Repeated exposure may cause skin dryness or cracking. R 67 - Vapours may cause frowsiness and dizziness. S 16 - Keep away from sources of ignition - No Smoking. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 29 - Do not empty into drains. S 33 - Take precautionary measures against static discharge. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg (Moreno, 1976c)
Oral-Rat 6970.00 mg/kg (Smyth et al., 1962)
Oral-Rabbit 3700.00 mg/kg (Munch,1972)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg
Skin-Guineapig >20.00 ml/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) : | 460.00 (μg/capita/day) |
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| recommendation for methyl acetate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for methyl acetate usage levels up to : |
| | 60.0000 ppm in the flavor.
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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 |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| 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 |
| SCCNFP : | opinion |
| WISER : | UN 1231 |
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| WGK Germany : | 1 |
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| | methyl acetate
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| (EINECS) number : | 201-185-2 |
| RTECS : | 79-20-9 |
| chemidplus : | 000079209 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 79-20-9 |
| dtp/nci : | 405071 |
references :
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| | methyl acetate
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| fl. number : | 09.023 |
| jecfa number : | 125 |
| NIST Chemistry WebBook : | 3619928819 |
| pubchem : | 149556 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
solvents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |