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| IUPAC name : | (6R)-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/t9-/m1/s1 |
| InChIKey : | NEDIAPMWNCQWNW-SECBINFHBH |
| SMILES : | CCCCC[C@@H]1CC=CC(=O)O1 |
| cas number : | 51154-96-2 |
| beilstein number : | 4177048 |
| fema number : | 3744 |
| jecfa number : | 246 |
| 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 |
| formula : | C10 H16 O2 |
| NMR Predictor : | Predict |
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| IUPAC name : | (6S)-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/t9-/m0/s1 |
| InChIKey : | NEDIAPMWNCQWNW-VIFPVBQEBE |
| SMILES : | CCCCC[C@H]1CC=CC(=O)O1 |
| cas number : | 51154-96-2 (S) |
| beilstein number : | 4177048 |
| 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 |
| formula : | C10 H16 O2 |
| BioActivity Analysis : | 536052 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.29.6000 |
| fda reg : | unspecified |
Suppliers :
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| Charabot : | massoia lactone
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| Citrus and Allied Essences : | massoia lactone
95% (natural) |
| Fleurchem : | massoia lactone
natural |
| Mooreganics : | Massoia Lactone
Natural (Organic Compliant) |
| Penta : | massoia lactone
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organoleptics :
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| odor type : | coconut |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in propylene glycol. | sweet coconut meat lactonic creamy milky waxy |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98200 to 0.99200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.171 to 8.254
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| refractive index : | 1.46700 to 1.47700 @ 20.00 °C.
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| boiling point : | 170.00 to 174.00 °C. @ 760.00 mm Hg
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| boiling point : | 112.00 °C. @ 1.40 mm Hg
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 2.54 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
| Oral Toxicity(LD50) : |
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Oral-Mouse 1890.00 mg/kg
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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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| recommendation for (R)-massoia lactone usage levels up to : |
| | not for fragrance use.
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| recommendation for (R)-massoia lactone usage levels up to : |
| | 20.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : Other materials ) |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | (6R)-6-pentyl-5,6-dihydropyran-2-one
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| chemidplus : | 051154962 |
| EPA Substance Registry Services : | 51154-96-2 |
| | (6S)-6-pentyl-5,6-dihydropyran-2-one
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references :
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| | (6R)-6-pentyl-5,6-dihydropyran-2-one
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| jecfa number : | 246 |
| NIST Chemistry WebBook : | 51154962 |
| pubchem : | 839346 |
| | (6S)-6-pentyl-5,6-dihydropyran-2-one
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| pubchem : | 536052 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |