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| IUPAC Name - | (7E,9E,11E,13E)-pentadeca-7,9,11,13-tetraen-1-ol |
| InChI - | InChI=1/C15H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-9,16H,10-15H2,1H3/b3-2+,5-4+,7-6+,9-8+ |
| InChIKey - | RAPKQMZFSCMPDF-GAXCVXDLBQ |
| SMILES - | C\C=C\C=C\C=C\C=C\CCCCCCO |
| CAS Number : | 11031-45-1 |
| (EINECS) Number : | 234-262-4 |
| FEMA Number : | 3006 |
| COE Number : | 74 |
| Molar Refractivity : | 73.30 ± 0.3 cm3 (est) |
| Parachor : | 594.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.502 ± 0.02 (est) |
| Surface Tension : | 32.9 ± 3.0 dyne/cm (est) |
| Density : | 0.888 ± 0.06 g/cm3 (est) |
| Polarizability : | 29.06 ± 0.5 10-24cm3 (est) |
| XlogP : | 4.10 (est) |
| Molecular Weight : | 220.3504600 (IUPAC) (PT) (112) |
| Formula : | C15 H24 O |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | Santalol (alpha & beta).
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| FDA Mainterm : | SANTALOL (ALPHA AND BETA). |
| FDA Regulation. : | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Suppliers :
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| Fleurchem : | santalol
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| Penta : | santalol
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Organoleptics :
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| Odor Type : | woody |
| Odor Strength : | medium |
Odor Description: at 100.00 %. | deep sweet sandalwood woody Luebke, William tgsc, (1991) |
| Odor sample from : | International Flavors & Fragrances Inc. |
Properties :
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| Appearence : | colorless to pale yellow clear viscous liquid |
| Food Chemicals Codex Listed : | Yes |
| Specific Gravity : | 0.97100 to 0.97300 @ 25.00 °C.
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| Pounds per Gallon - est. : | 8.080 to 8.096
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| Refractive Index : | 1.50400 to 1.50900 @ 20.00 °C.
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| Optical Rotation : | -14.00 to -16.00
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| Flash Ppoint : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 4.65 |
Safety :
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| Most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Human Experience : | 20 % solution: no irritation or sensitization. |
| 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 : | flavor and fragrance agents |
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| Recommendation for santalol fragrance usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| Recommendation for santalol flavor usage levels up to : |
| | 8.0000 ppm in the flavor.
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Safety References :
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| EPI System : | view |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | (7E,9E,11E,13E)-pentadeca-7,9,11,13-tetraen-1-ol |
| (EINECS) Number : | 234-262-4 |
| Chemidplus : | 011031451 |
| EPA Substance Registry Services : | 11031-45-1 |
References :
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| | (7E,9E,11E,13E)-pentadeca-7,9,11,13-tetraen-1-ol |
| Pubchem : | 197799 |
Cosmetics :
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| Cosmetic Uses : |
perfuming agents
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Other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |