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| IUPAC name : | [(E)-oct-2-enyl] acetate |
| InChI : | InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7+ |
| InChIKey : | MBRLTLPMVMFRTJ-BQYQJAHWBE |
| SMILES : | CCCCC\C=C\COC(=O)C |
| cas number : | 3913-80-2 |
| % from : | 94.00% to 99.90% |
| (EINECS) number : | 223-473-7 |
| fema number : | 3516 |
| coe number : | 11906 |
| jecfa number : | 1367 |
| fl. number : | 09.276 |
| molar refractivity : | 50.21 ± 0.3 cm3 |
| parachor : | 441.9 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.892 ± 0.06 g/cm3 |
| polarizability : | 19.90 ± 0.5 10-24cm3 |
| XlogP : | 3.60 |
| molecular weight : | 170.2487200 (IUPAC) |
| formula : | C10 H18 O2 |
| NMR Predictor : | Predict |
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| IUPAC name : | oct-2-enyl acetate |
| InChI : | InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3 |
| InChIKey : | MBRLTLPMVMFRTJ-UHFFFAOYAS |
| SMILES : | O=C(OC/C=C/CCCCC)C |
| cas number : | 2371-13-3 |
| (EINECS) number : | 219-140-0 |
| molar refractivity : | 50.21 ± 0.3 cm3 |
| parachor : | 441.9 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.892 ± 0.06 g/cm3 |
| polarizability : | 19.90 ± 0.5 10-24cm3 |
| XlogP : | 3.60 |
| molecular weight : | 170.2487200 (IUPAC) |
| formula : | C10 H18 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9500 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | 2-OCTENYL ACETATE (HIGH TRANS)
≥97.0% (sum of isomers), Kosher Odor: A fresh, melon, pear, tropical odor with earthy backnotes Used to impart a fresh apple/pear nuance. Flavor: green fatty fruity Used in pear, melon, apple, watermelon and mushroom flavors. |
| Penta : | trans-2-octenyl acetate
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organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | green aldehydic melon pear tropical earthy |
odor description:
| Green, fatty and aldehydic with an oily waxy nuance Mosciano, Gerard P&F 18, No. 4, 51, (1993) |
taste description: at 10.00 ppm. | Green, fatty and fruity with a fresh nuance Mosciano, Gerard P&F 18, No. 4, 51, (1993) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88200 to 0.88800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.339 to 7.389
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| refractive index : | 1.43100 to 1.43700 @ 20.00 °C.
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| boiling point : | 65.00 °C. @ 5.00 mm Hg
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| flash point : | 185.00 °F. TCC ( 85.00 °C. )
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| logP (o/w) : | 3.64 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and 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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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 (E)-2-octen-1-yl acetate fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for (E)-2-octen-1-yl acetate flavor usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
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| WGK Germany : | 2 |
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| | [(E)-oct-2-enyl] acetate |
| (EINECS) number : | 223-473-7 |
| chemidplus : | 003913802 |
| EPA Substance Registry Services : | 3913-80-2 |
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| | oct-2-enyl acetate |
| (EINECS) number : | 219-140-0 |
| chemidplus : | 002371133 |
| EPA Substance Registry Services : | 2371-13-3 |
references :
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| | [(E)-oct-2-enyl] acetate |
| fl. number : | 09.276 |
| jecfa number : | 1367 |
| pubchem : | 203974 |
| | oct-2-enyl acetate |
| pubchem : | 679672 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |