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| IUPAC name : | 6-pentylpyran-2-one |
| InChI : | InChI=1/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3 |
| InChIKey : | MAUFTTLGOUBZNA-UHFFFAOYAY |
| SMILES : | CCCCCC1=CC=CC(=O)O1 |
| cas number : | 27593-23-3 |
| (EINECS) number : | 248-552-3 |
| fema number : | 3696 |
| coe number : | 10967 |
| jecfa number : | 245 |
| fl. number : | 10.031 |
| molar refractivity : | 47.22 ± 0.3 cm3 |
| parachor : | 397.9 ± 6.0 cm3 |
| index of refraction : | 1.481 ± 0.02 |
| surface tension : | 33.2 ± 3.0 dyne/cm |
| density : | 1.003 ± 0.06 g/cm3 |
| polarizability : | 18.72 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| XlogP3-AA : | 3.00 |
| molecular weight : | 166.2169600 (IUPAC) |
| formula : | C10 H14 O2 |
| BioActivity Analysis : | 536053 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.29.6000 |
| fda reg : | unspecified |
Suppliers :
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| Fontarome : | 6-AMYL ALPHA PYRONE
Odor: Cocoa fruity, mushroom, blue cheese, dairy |
| Penta : | 6-amyl-alpha-pyrone
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| Sigma-Aldrich-SAFC : | 6-Amyl-alpha-pyrone
≥96%, FG, Kosher Odor: almond; coconut; mushroom; sweet |
| TCI AMERICA : | 6-Amyl-2-pyrone
>98.0%(GC) |
organoleptics :
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| odor type : | tonka |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | tonka lactonic coconut creamy fatty waxy |
properties :
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| appearence : | colorless to orange clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00400 @ 25.00 °C.
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| refractive index : | 1.50500 @ 20.00 °C.
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| boiling point : | 285.00 to 286.00 °C. @ 760.00 mm Hg
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 2.51 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection.
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| Oral Toxicity(LD50) : |
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Gavage-Rat [sex: M,F] 5000.00 mg/kg (Piccirillo & Hartman, 1980a
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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) : | 0.28 (μg/capita/day) |
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| recommendation for 6-amyl-alpha-pyrone usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for 6-amyl-alpha-pyrone usage levels up to : |
| | 30.0000 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 |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 6-pentylpyran-2-one
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| (EINECS) number : | 248-552-3 |
| chemidplus : | 027593233 |
| EPA Substance Registry Services : | 27593-23-3 |
| dtp/nci : | 721361 |
references :
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| | 6-pentylpyran-2-one
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| fl. number : | 10.031 |
| jecfa number : | 245 |
| NIST Chemistry WebBook : | 1617962126 |
| pubchem : | 175761 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |