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| IUPAC name : | undec-10-enyl acetate |
| InChI : | InChI=1/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3H,1,4-12H2,2H3 |
| InChIKey : | VCVAXEYHJAFRGM-UHFFFAOYAS |
| SMILES : | CC(=O)OCCCCCCCCCC=C |
| cas number : | 112-19-6 |
| (EINECS) number : | 203-944-3 |
| beilstein number : | 1769966 |
| fema number : | 3096 |
| coe number : | 2062 |
| jecfa number : | 136 |
| fl. number : | 09.214 |
| molar refractivity : | 63.77 ± 0.3 cm3 |
| parachor : | 563.0 ± 4.0 cm3 |
| index of refraction : | 1.440 ± 0.02 |
| surface tension : | 29.4 ± 3.0 dyne/cm |
| density : | 0.878 ± 0.06 g/cm3 |
| polarizability : | 25.28 ± 0.5 10-24cm3 |
| XlogP : | 5.20 |
| molecular weight : | 212.3284600 (IUPAC) |
| formula : | C13 H24 O2 |
| BioActivity Analysis : | 67427 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | 172.515 |
Suppliers :
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| Nanjing : | undecylenyl acetate
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| Penta : | acetate C-11
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organoleptics :
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| odor type : | fresh |
| odor strength : | medium |
odor description :¹ at 100.00 %. | fresh clean laundered cloths rose |
| odor sample from : | Bedoukian Research, Inc. |
| substantivity : | 257 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87300 to 0.88000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.264 to 7.322
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| refractive index : | 1.43300 to 1.44000 @ 20.00 °C.
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| boiling point : | 269.00 to 271.00 °C. @ 760.00 mm Hg
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| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 4.98 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 38 - Irritating to skin. 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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| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg (Levenstein, 1974)
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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) : | 0.83 (μg/capita/day) |
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| recommendation for 10-undecen-1-yl acetate usage levels up to : |
| | 8.0000 % 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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| WGK Germany : | 2 |
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| | undec-10-enyl acetate
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| (EINECS) number : | 203-944-3 |
| chemidplus : | 000112196 |
| EPA Substance Registry Services : | 112-19-6 |
| dtp/nci : | 525 |
references :
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| | undec-10-enyl acetate
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| fl. number : | 09.214 |
| jecfa number : | 136 |
| NIST Chemistry WebBook : | 1105105720 |
| pubchem : | 197270 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1989)¹ |
| CosIng : | cosmetic data |