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| IUPAC name : | 6-pentyl-5,6-dihydropyran-2-one |
| InChI : | InChI=1/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3 |
| InChIKey : | NEDIAPMWNCQWNW-UHFFFAOYAK |
| SMILES : | CCCCCC1CC=CC(=O)O1 |
| cas number : | 54814-64-1 |
| (EINECS) number : | 259-359-9 |
| fema number : | 3744 |
| fl. number : | 10.037 |
| molar refractivity : | 47.62 ± 0.3 cm3 |
| parachor : | 412.0 ± 6.0 cm3 |
| index of refraction : | 1.458 ± 0.02 |
| surface tension : | 31.1 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 18.87 ± 0.5 10-24cm3 |
| XlogP : | 3.00 |
| molecular weight : | 168.2328400 (IUPAC) |
| formula : | C10 H16 O2 |
| BioActivity Analysis : | 535786 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.29.6000 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | massoia lactone
95% min. natural Odor: Coconut, Buttery. |
| Advanced Biotech : | massoia lactone
75% min. natural Odor: Coconut, Buttery. |
| Advanced Biotech : | massoia lactone
92% min. natural |
| Apple : | Massoia lactone
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| Fleurchem : | cocolactone
natural |
| Inoue : | delta-DECENOLACTONE
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| Mane : | massoia lactone
(ex Massoia) |
| Penta : | 5-hydroxy-2-decenoic acid lactone
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in propylene glycol. | sweet peach herbal |
properties :
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| appearence : | pale yellow to yellow clear liquid |
| assay : | 95.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| boiling point : | 286.00 to 287.00 °C. @ 760.00 mm Hg
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| flash point : | 240.00 °F. TCC ( 115.56 °C. )
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| logP (o/w) : | 2.54 |
safety :
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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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| Category : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 12.00 (μg/capita/day) |
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| recommendation for massoia lactone fragrance usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| recommendation for massoia lactone flavor 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 |
| IFRA : | IFRA - ( Found under : Massoia lactone ) |
| Canada Domestic Sub. List : | Yes |
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| | 6-pentyl-5,6-dihydropyran-2-one |
| (EINECS) number : | 259-359-9 |
| chemidplus : | 054814641 |
| EPA Substance Registry Services : | 54814-64-1 |
| dtp/nci : | 720841 |
references :
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| Leffingwell : | chirality |
| | 6-pentyl-5,6-dihydropyran-2-one |
| fl. number : | 10.037 |
| NIST Chemistry WebBook : | 3585898595 |
| pubchem : | 740285 |
| Flavornet : | 54814-64-1 |
Cosmetics :
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| Cosmetic uses : |
not used anymore
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |