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| IUPAC Name - | prop-2-enyl undec-10-enoate |
| InChI - | InChI=1/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-4H,1-2,5-13H2 |
| InChIKey - | VJOZUTGJXVDWDJ-UHFFFAOYAX |
| SMILES - | C=CCCCCCCCCC(=O)OCC=C |
| CAS Number : | 7493-76-7 |
| (EINECS) Number : | 231-337-3 |
| FEMA Number : | 2044 |
| COE Number : | 441 |
| Molar Refractivity : | 68.13 ± 0.3 cm3 (est) |
| Parachor : | 591.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.450 ± 0.02 (est) |
| Surface Tension : | 29.8 ± 3.0 dyne/cm (est) |
| Density : | 0.885 ± 0.06 g/cm3 (est) |
| Polarizability : | 27.01 ± 0.5 10-24cm3 (est) |
| XlogP : | 5.30 (est) |
| XlogP3 : | 4.80 (est) |
| Molecular Weight : | 224.3391600 (IUPAC) (PT) (112) |
| Formula : | C14 H24 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 : | Allyl 10-undecenoate.
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| Fl@vouring Number : | 09.146
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| FDA Mainterm : | ALLYL 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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| Nanjing : | allyl undecylenate
orders in chinese. |
| Penta : | allyl 10-undecenoate
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| Penta : | allyl 9-undecenoate
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| Pfaltz & Bauer : | Allyl Undecylenate
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Organoleptics :
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| Odor Type : | fruity |
| Odor Strength : | medium |
Odor Description: at 100.00 %. | fruity pineapple waxy |
Properties :
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| Appearence : | colorless clear liquid |
| Assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| Specific Gravity : | 1.01200 to 1.02000 @ 25.00 °C.
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| Pounds per Gallon - est. : | 8.421 to 8.487
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| Refractive Index : | 1.46000 to 1.46400 @ 20.00 °C.
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| Refractive Index : | 1.44480 @ 30.00 °C.
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| Boiling Point : | 180.00 °C. @ 30.00 mm Hg
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| Boiling Point : | 114.00 to 118.00 °C. @ 1.00 mm Hg
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| Acid Value : | 1.00 max. KOH/g
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| Flash Ppoint : | 200.00 °F. TCC ( 93.33 °C. )
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| logP (o/w) : | 5.27 |
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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| Category : | flavor and fragrance agents |
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| IFRA Purity Specification : | < 0.1% free allyl alcohol |
| Recommendation for allyl 10-undecenoate fragrance usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| Recommendation for allyl 10-undecenoate flavor usage levels up to : |
| | 1.0000 ppm in the flavor.
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Safety References :
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| EPI System : | view |
| IFRA : | view standard |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | prop-2-enyl undec-10-enoate |
| BioActivity Analysis : | 109688 |
| (EINECS) Number : | 231-337-3 |
| Chemidplus : | 007493767 |
| EPA Substance Registry Services : | 7493-76-7 |
| dtp/nci : | 62647 |
References :
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| | prop-2-enyl undec-10-enoate |
| NIST Chemistry WebBook : | 1377235488 |
| Pubchem : | 197669 |
Other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |