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| IUPAC name : | (E)-1-(1-ethoxyethoxy)hex-3-ene |
| InChI : | InChI=1/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+ |
| InChIKey : | PAEBAEDUARAOSG-VOTSOKGWBW |
| SMILES : | CC\C=C\CCOC(C)OCC |
| cas number : | 28069-74-1 |
| (EINECS) number : | 248-817-3 |
| fema number : | 3775 |
| coe number : | 10034 |
| jecfa number : | 943 |
| fl. number : | 06.081 |
| molar refractivity : | 51.88 ± 0.3 cm3 |
| parachor : | 453.9 ± 4.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.859 ± 0.06 g/cm3 |
| polarizability : | 20.56 ± 0.5 10-24cm3 |
| XlogP : | 2.80 |
| XlogP3-AA : | 2.60 |
| molecular weight : | 172.2646000 (IUPAC) |
| formula : | C10 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
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| Apple : | Leaf acetal
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| Bedoukian Research : | LEAF ALCOHOL (ETHYL) ACETAL
≥98.0%, Kosher Odor: leafy, green vegetable-like Adds a green top note; stable to alkali. Flavor: green An intense odor that is used to add brightness and character to bell pepper, cucumber and green bean flavors. |
| Cargill : | ACETALDEHYDE ETHYL cis-3-HEXENYL ACETAL
natural, Kosher Odor: Powerful, Green, Herbaceous-Vegetable |
| Citrus and Allied Essences : | cis-3-Hexenyl Acetal
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| Fontarome : | LEAF ACETAL
Odor: Earthy mushroom-like |
| Hofmen : | Acetaldethde, ethyl cis-3-hexenyl acetal
98% |
| Inoue : | ACETALDEHYDE ETHYL CIS3HEXENYL ACETAL
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| Penta : | leaf acetal
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organoleptics :
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| odor type : | green |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | green violet natural green leaf mushroom earthy Luebke, William tgsc, (1984) |
| odor sample from : | International Flavors & Fragrances Inc. |
odor description: at 2.00 %. | green, vegetative, musty and radish-like with a raw, fruity nuance Mosciano, Gerard P&F 22, No. 6, 41, (1997) |
taste description: at 10.00 ppm. | Green, vegetative, grassy, musty and radish-like with a fruity nuance Mosciano, Gerard P&F 22, No. 6, 41, (1997) |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84600 to 0.85600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.040 to 7.123
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| specific gravity : | 0.84900 to 0.85600 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.073 to 7.131
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| refractive index : | 1.43000 to 1.43500 @ 20.00 °C.
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| boiling point : | 195.00 to 196.00 °C. @ 760.00 mm Hg
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| boiling point : | 85.00 °C. @ 7.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| vapor pressure : | 0.40000 mm/Hg @ 20.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 180.00 °F. TCC ( 82.22 °C. )
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| logP (o/w) : | 3.01 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. 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 Food and Chemical Toxicology. Vol. 26, Pg. 275, 1988.
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5000.00 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 275, 1988.
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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 : | cosmetic, flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.00 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for leaf acetal fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for leaf acetal flavor usage levels up to : |
| | 10.0000 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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| | (E)-1-(1-ethoxyethoxy)hex-3-ene |
| (EINECS) number : | 248-817-3 |
| chemidplus : | 028069741 |
| EPA Substance Registry Services : | 28069-74-1 |
references :
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| | (E)-1-(1-ethoxyethoxy)hex-3-ene |
| fl. number : | 06.081 |
| jecfa number : | 943 |
| pubchem : | 204953 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |