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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | [(Z)-hept-3-enyl] acetate |
| InChI : | InChI=1/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5- |
| InChIKey : | AAYIYWGTGAUKQY-WAYWQWQTBG |
| SMILES : | CC(=O)OCC/C=C\CCC |
| cas number : | 1576-78-9 |
| (EINECS) number : | 216-412-0 |
| molar refractivity : | 45.57 ± 0.3 cm3 |
| parachor : | 402.1 ± 4.0 cm3 |
| index of refraction : | 1.436 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.896 ± 0.06 g/cm3 |
| polarizability : | 18.06 ± 0.5 10-24cm3 |
| XlogP : | 2.80 |
| molecular weight : | 156.2221400 |
| formula : | C9 H16 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9500 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | VIOLANA
≥95.0%, Kosher Odor: A green 'natural' banana odor, oak moss, earthy. |
organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | green tropical banana vegetable fatty |
| odor sample from : | Bedoukian Research, Inc. |
| substantivity : | 2 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88300 to 0.90300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.347 to 7.514
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| refractive index : | 1.42700 to 1.43700 @ 20.00 °C.
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| boiling point : | 196.00 to 197.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.40400 mm/Hg @ 25.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 160.00 °F. TCC ( 71.11 °C. )
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| logP (o/w) : | 2.95 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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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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| recommendation for (Z)-3-hepten-1-yl acetate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | [(Z)-hept-3-enyl] acetate
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| (EINECS) number : | 216-412-0 |
| chemidplus : | 001576789 |
| EPA Substance Registry Services : | 1576-78-9 |
references :
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| | [(Z)-hept-3-enyl] acetate
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| NIST Chemistry WebBook : | 1576789 |
| pubchem : | 216329 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (2009)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |