| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| 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 |
| jecfa number : | 344 |
| fl. number : | 09.238 |
| molar refractivity : | 73.04 ± 0.3 cm3 |
| parachor : | 642.6 ± 4.0 cm3 |
| index of refraction : | 1.444 ± 0.02 |
| surface tension : | 29.9 ± 3.0 dyne/cm |
| density : | 0.875 ± 0.06 g/cm3 |
| polarizability : | 28.95 ± 0.5 10-24cm3 |
| XlogP : | 6.00 |
| XlogP3-AA : | 5.50 |
| molecular weight : | 240.3816200 (IUPAC) |
| formula : | C15 H28 O2 |
| BioActivity Analysis : | 69066 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | unspecified |
| fda reg : | 172.515 |
Suppliers :
|
| Fontarome : | BUTYL UNDECYLENOATE
Odor: Very faint, slightly fruity, wine fusel |
| Inoue : | BUTYL UNDECENOATE
|
| Penta : | butyl 10-undecenoate
|
| Sigma-Aldrich-SAFC : | Butyl 10-undecenoate
≥98%, Kosher Odor: butter; wine-like |
| Vigon : | Butyl Undecylenate
Odor: BUTTER, WINE-LIKE |
organoleptics :
|
| odor type : | fatty |
| odor strength : | medium |
odor description :¹ at 100.00 %. | fatty butter wine floral fruity |
| odor sample from : | Fritzsche Dodge & Olcott, Inc. |
| substantivity : | 344 Hour(s) |
properties :
|
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86800 to 0.87900 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.223 to 7.314
|
| specific gravity : | 0.91200 to 0.92200 @ 20.00 °C.
|
| pounds per gallon - calc. : | 7.598 to 7.681
|
| refractive index : | 1.43900 to 1.44900 @ 20.00 °C.
|
| boiling point : | 249.00 to 254.00 °C. @ 756.00 mm Hg
|
| boiling point : | 125.00 to 128.00 °C. @ 3.00 mm Hg
|
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
|
| logP (o/w) : | 6.04 |
safety :
|
| most important hazard(s) : | None - None found. |
| |
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
|
| Human experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
| |
Oral-Rat 5000.00 mg/kg (Moreno, 1977b)
|
| Dermal Toxicity(LD50) : |
| |
Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 729, 1979.
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.037 (μg/capita/day) |
| |
| recommendation for butyl undecylenate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
|
| recommendation for butyl undecylenate usage levels up to : |
| | 60.0000 ppm in the flavor.
|
safety references :
|
| 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 |
| |
| WGK Germany : | 2 |
| |
| |
| |
| | butyl undec-10-enoate
|
| (EINECS) number : | 203-670-4 |
| RTECS : | YQ2978000 for 109-42-2 |
| chemidplus : | 000109422 |
| EPA Substance Registry Services : | 109-42-2 |
| dtp/nci : | 2395 |
references :
|
| | butyl undec-10-enoate
|
| fl. number : | 09.238 |
| jecfa number : | 344 |
| NIST Chemistry WebBook : | 4005910990 |
| pubchem : | 197255 |
Cosmetics :
|
| Cosmetic uses : |
perfuming agents
|
other :
|
| reference : | Luebke, William tgsc, (1986)¹ |
| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |