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| IUPAC Name - | butyl undec-10-enoate |
| InChI - | InChI=1/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3 |
| InChIKey - | GRAORJFMGCQWRN-UHFFFAOYAL |
| SMILES - | CCCCOC(=O)CCCCCCCCC=C |
| CAS Number : | 109-42-2 |
| (EINECS) Number : | 203-670-4 |
| Beilstein Number : | 1776569 |
| FEMA Number : | 2216 |
| COE Number : | 2103 |
| Molar Refractivity : | 73.04 ± 0.3 cm3 (est) |
| Parachor : | 642.6 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.444 ± 0.02 (est) |
| Surface Tension : | 29.9 ± 3.0 dyne/cm (est) |
| Density : | 0.875 ± 0.06 g/cm3 (est) |
| Polarizability : | 28.95 ± 0.5 10-24cm3 (est) |
| XlogP : | 6.00 (est) |
| XlogP3-AA : | 5.50 (est) |
| Molecular Weight : | 240.3816200 (IUPAC) (PT) (112) |
| Formula : | C15 H28 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 : | Butyl 10-undecenoate.
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| Fl@vouring Number : | 09.238
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| FDA Mainterm : | BUTYL 10-UNDECENOATE. |
| 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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| Fontarome : | BUTYL UNDECYLENOATE
Odor: Very faint, slightly fruity, wine fusel |
| Inoue : | BUTYL UNDECENOATE
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| Penta : | butyl 10-undecenoate
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| SAFC Global® : | Butyl 10-undecenoate
≥98%, Kosher Odor: butter; wine-like |
| Vigon : | Butyl Undecylenate
Odor: BUTTER, WINE-LIKE |
Organoleptics :
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| Odor Type : | fatty |
| Odor Strength : | medium |
Odor Description: at 100.00 %. | fatty butter wine floral fruity Luebke, William tgsc, (1986) |
| Odor sample from : | Fritzsche Dodge & Olcott, Inc. |
| Substantivity : | 344 Hour(s) |
Properties :
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| Appearence : | colorless to pale yellow clear liquid |
| Food Chemicals Codex Listed : | No |
| Flash Ppoint : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 6.04 |
Safety :
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| Most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Human Experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat 5000.00 mg/kg (Moreno, 1977b)
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 729, 1979.
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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) : | 0.037 (μg/capita/day) |
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| Recommendation for butyl undecylenate fragrance usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| Recommendation for butyl undecylenate flavor usage levels up to : |
| | 60.0000 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 : | 2 |
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| | butyl undec-10-enoate |
| BioActivity Analysis : | 69066 |
| (EINECS) Number : | 203-670-4 |
| RTECS : | YQ2978000 for cas# 109-42-2 |
| Chemidplus : | 000109422 |
| EPA Substance Registry Services : | 109-42-2 |
| dtp/nci : | 2395 |
References :
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| | butyl undec-10-enoate |
| NIST Chemistry WebBook : | 4005910990 |
| Pubchem : | 197255 |
Cosmetics :
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| Cosmetic Uses : |
perfuming agents
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Other :
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| CosIng : | cosmetic data |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |