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| IUPAC name : | 2,3-dihydroxypropyl 5-hydroxydecanoate |
| InChI : | InChI=1/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3 |
| InChIKey : | ILJDYMFZBMWGGZ-UHFFFAOYAC |
| SMILES : | CCCCCC(CCCC(=O)OCC(CO)O)O |
| cas number : | 26446-31-1 |
| (EINECS) number : | 247-699-0 |
| fema number : | 3685 |
| coe number : | 10648 |
| jecfa number : | 923 |
| fl. number : | 09.543 |
| molar refractivity : | 68.57 ± 0.3 cm3 |
| parachor : | 619.0 ± 4.0 cm3 |
| index of refraction : | 1.483 ± 0.02 |
| surface tension : | 44.3 ± 3.0 dyne/cm |
| density : | 1.093 ± 0.06 g/cm3 |
| polarizability : | 27.18 ± 0.5 10-24cm3 |
| XlogP : | 1.20 |
| molecular weight : | 262.3425400 |
| formula : | C13 H26 O5 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Penta : | glyceryl-5-hydroxydecanoate
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organoleptics :
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| odor type : | tropical |
| odor strength : | medium |
odor description :¹ at 100.00 %. | fresh peach coconut oily |
| odor sample from : | Grindsted Products, Inc. |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 98.00 to 100.00 %
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| additional assay information : | total glycerol, mono-, di- and tri-glycerides |
| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04500 to 1.05100 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.695 to 8.745
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| refractive index : | 1.46500 to 1.46800 @ 20.00 °C.
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| boiling point : | 100.00 °C. @ 2.00 mm Hg
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| acid value : | 10.00 max. KOH/g
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| flash point : | 298.00 °F. TCC ( 147.78 °C. )
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| logP (o/w) : | 1.09 |
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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 3.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.00 (μg/capita/day) |
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| recommendation for glyceryl 5-hydroxydecanoate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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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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| | 2,3-dihydroxypropyl 5-hydroxydecanoate
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| (EINECS) number : | 247-699-0 |
| chemidplus : | 026446311 |
| EPA Substance Registry Services : | 26446-31-1 |
references :
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| | 2,3-dihydroxypropyl 5-hydroxydecanoate
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| fl. number : | 09.543 |
| jecfa number : | 923 |
| pubchem : | 204877 |
other :
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| reference : | Luebke, William tgsc, (1987)¹ |