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| IUPAC name : | 3-hydroxy-4,5-dimethyl-5H-furan-2-one |
| InChI : | InChI=1/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3 |
| InChIKey : | UNYNVICDCJHOPO-UHFFFAOYAI |
| SMILES : | CC1C(=C(C(=O)O1)O)C |
| cas number : | 28664-35-9 |
| (EINECS) number : | 249-136-4 |
| fema number : | 3634 |
| coe number : | 11834 |
| jecfa number : | 243 |
| fl. number : | 10.030 |
| molar refractivity : | 30.78 ± 0.3 cm3 |
| parachor : | 261.3 ± 6.0 cm3 |
| index of refraction : | 1.512 ± 0.02 |
| surface tension : | 42.2 ± 3.0 dyne/cm |
| density : | 1.249 ± 0.06 g/cm3 |
| polarizability : | 12.20 ± 0.5 10-24cm3 |
| XlogP : | 1.00 |
| XlogP3-AA : | 0.40 |
| molecular weight : | 128.1259200 (IUPAC) |
| formula : | C6 H8 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2905.32.0000 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | caramel furanone
97% min. synthetic Odor: Caramel, Sweet |
| Berje : | Caramel Furanone
100% |
| Givaudan : | Sotolon
≥98%, NI, Kosher Odor: Extremely Strong,Fenugreek,Lovage,Maple. |
| Nanjing : | 3-hydroxy-4,5-dimethylfuran-2(5H)-one
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| Penta : | caramel furanone
pure |
| Sigma-Aldrich-SAFC : | 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one
≥97%, Kosher, FG Odor: caramel; celery; maple; tobacco; earthy; green; meaty; wine-like; nutty; seedy; smoky |
| Vigon : | Dimethyl-4 5 3-Hydroxy 2 3-Dihydrofuran-2-one Sotolone
Odor: AROMATIC, FOOD-LIKE SPICY |
organoleptics :
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| odor type : | caramellic |
| odor strength : | very high , recommend smelling in a 0.01 % solution or less |
odor description :¹ at 0.01 % in propylene glycol. | extremely sweet strong caramel maple burnt sugar coffee |
| odor sample from : | Sigma-Aldrich Inc. |
| substantivity : | > 400 hour(s) at 3.00 % in propylene glycol |
properties :
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| appearence : | white to pale yellow liquid to solid |
| assay : | 97.50 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| refractive index : | 1.49100 to 1.49400 @ 20.00 °C.
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| melting point : | 25.00 to 29.00 °C. @ 760.00 mm Hg
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| boiling point : | 93.00 to 95.00 °C. @ 2.00 mm Hg
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| boiling point : | 81.00 °C. @ 6.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | -0.44 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 20/22 - Harmful by inhalation and if swallowed. R 36/37 - Irritating to eyes and respiratory system. S 02 - Keep out of the reach of children. S 07 - Keep container tightly closed. S 09 - Keep container in a well-ventilated place. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 35 - This material and its container must be disposed of in a safe way. S 36 - Wear suitable protective clothing. S 36/37/39 - Wear suitable clothing, 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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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 1.80 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.10 (μg/capita/day) |
| Structure Class : | III |
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| recommendation for caramel furanone usage levels up to : |
| | not for fragrance use.
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| recommendation for caramel furanone usage levels up to : |
| | 5.0000 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 |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 3-hydroxy-4,5-dimethyl-5H-furan-2-one
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| (EINECS) number : | 249-136-4 |
| chemidplus : | 028664359 |
| EPA Substance Registry Services : | 28664-35-9 |
references :
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| | 3-hydroxy-4,5-dimethyl-5H-furan-2-one
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| fl. number : | 10.030 |
| jecfa number : | 243 |
| NIST Chemistry WebBook : | 41925784 |
| pubchem : | 204979 |
other :
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| reference : | Luebke, William tgsc, (1998)¹ |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |