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| IUPAC name : | 6-methylchromen-2-one |
| InChI : | InChI=1/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3 |
| InChIKey : | FXFYOPQLGGEACP-UHFFFAOYAB |
| SMILES : | CC1=CC2=C(C=C1)OC(=O)C=C2 |
| cas number : | 92-48-8 |
| (EINECS) number : | 202-158-8 |
| beilstein number : | 0004222 |
| fema number : | 2699 |
| coe number : | 579 |
| jecfa number : | 1172 |
| fl. number : | 13.012 |
| molar refractivity : | 44.59 ± 0.3 cm3 |
| parachor : | 343.9 ± 6.0 cm3 |
| index of refraction : | 1.583 ± 0.02 |
| surface tension : | 44.2 ± 3.0 dyne/cm |
| density : | 1.200 ± 0.06 g/cm3 |
| polarizability : | 17.67 ± 0.5 10-24cm3 |
| XlogP : | 2.20 |
| molecular weight : | 160.1693200 (IUPAC) |
| formula : | C10 H8 O2 |
| BioActivity Analysis : | 71903 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.21.0000 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | 6-methyl coumarin
99% min. synthetic Odor: Coconut, Herbaceous |
| Berje : | 6-Methyl Coumarin
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| Elan : | 6-methyl coumarin
Kosher |
| IFF : | 6-Methyl Coumarin
Kosher Odor: Sweet, Vanilla |
| Moellhausen : | 6-methyl coumarin
98% min. artificial kosher |
| Penta : | 6-methylcoumarin
powder |
| Penta : | 6-methylcoumarin
crystals |
| Sigma-Aldrich-SAFC : | 6-Methyl coumarin
≥99%, FCC, Kosher, FG Odor: anise; coconut; creamy; herbaceous; vanilla; balsamic |
| Vigon : | Methyl-6 Coumarin
Odor: COCONUT-LIKE |
organoleptics :
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| odor type : | coconut |
| odor strength : | low , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | sweet coconut vanilla creamy powdery floral |
properties :
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| appearence : | white crystals |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| melting point : | 73.00 to 79.00 °C. @ 760.00 mm Hg
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| boiling point : | 303.00 °C. @ 725.00 mm Hg
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| congealing point : | 73.50 °C.
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 2.06 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 42/43 - May cause sensitization by inhalation and skin contact. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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.
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| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 1680.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg
Subcutaneous-Mouse 253.00 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) : | 250.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 96.00 (μg/capita/day) |
| Structure Class : | III |
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| IFRA critical Effect : | Photoallergy |
| recommendation for 6-methyl coumarin usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| recommendation for 6-methyl coumarin usage levels up to : |
| | 20.0000 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 |
| NLM Hazardous Substances Data Bank : | search |
| IFRA : | IFRA - ( Found under : 6-Methylcoumarin (Toncarine) ) |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 6-methylchromen-2-one
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| (EINECS) number : | 202-158-8 |
| RTECS : | GN7792000 for 92-48-8 |
| chemidplus : | 000092488 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 92-48-8 |
| dtp/nci : | 5870 |
references :
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| | 6-methylchromen-2-one
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| fl. number : | 13.012 |
| jecfa number : | 1172 |
| NIST Chemistry WebBook : | 2466174609 |
| pubchem : | 150126 |
Cosmetics :
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| Cosmetic uses : |
masking agents
oral care agents
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other :
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| CosIng : | cosmetic data |