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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 |
| Molar Refractivity : | 47.22 ± 0.3 cm3 (est) |
| Parachor : | 397.9 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.481 ± 0.02 (est) |
| Surface Tension : | 33.2 ± 3.0 dyne/cm (est) |
| Density : | 1.003 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.72 ± 0.5 10-24cm3 (est) |
| XlogP : | 2.60 (est) |
| XlogP3-AA : | 3.00 (est) |
| Molecular Weight : | 166.2169600 (IUPAC) (PT) (112) |
| Formula : | C10 H14 O2 |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | 5-Hydroxy-2,4-decadienoic acid delta-lactone.
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| Fl@vouring Number : | 10.031
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| FDA Mainterm : | 5-HYDROXY-2,4-DECADIENOIC ACID DELTA-LACTONE. |
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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| SAFC Global® : | 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 |
Odor Description:
| Coconut creamy, sweet, brown with a fatty waxy nuance Mosciano, Gerard P&F 16, No. 6, 43, (1991) |
Taste Description: at 30.00 ppm. | Sweet creamy, coconut, mushroom and nutty Mosciano, Gerard P&F 16, No. 6, 43, (1991) |
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 Ppoint : | > 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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.28 (μg/capita/day) |
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| Recommendation for 6-amyl-alpha-pyrone fragrance usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| Recommendation for 6-amyl-alpha-pyrone flavor 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 |
| BioActivity Analysis : | 536053 |
| (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 |
| NIST Chemistry WebBook : | 1617962126 |
| Pubchem : | 175761 |
Other :
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| Export Tariff Code : | 2932.29.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |