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| IUPAC name : | [(E)-hex-2-enyl] 2-phenylacetate |
| InChI : | InChI=1/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h4-10H,2-3,11-12H2,1H3/b8-4+ |
| InChIKey : | BYGAPGDXGHDYGP-XBXARRHUBL |
| SMILES : | CCC/C=C/COC(=O)CC1=CC=CC=C1 |
| cas number : | 68133-78-8 |
| (EINECS) number : | 268-705-8 |
| fl. number : | 09.400 |
| molar refractivity : | 65.43 ± 0.3 cm3 |
| parachor : | 534.5 ± 4.0 cm3 |
| index of refraction : | 1.511 ± 0.02 |
| surface tension : | 35.8 ± 3.0 dyne/cm |
| density : | 0.999 ± 0.06 g/cm3 |
| polarizability : | 25.93 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| XlogP3-AA : | 3.60 |
| molecular weight : | 218.2915200 (IUPAC) |
| formula : | C14 H18 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2916.35.1500 |
| fda reg : | unspecified |
organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description : at 100.00 %. | green mossy rum honey |
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 : | 0.98300 to 0.99300 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.180 to 8.263
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| refractive index : | 1.49700 to 1.50400 @ 20.00 °C.
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| boiling point : | 97.00 °C. @ 1.00 mm Hg
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| vapor density : | >1 ( Air = 1 ) |
| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 4.39 |
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. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg
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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 (E)-2-hexen-1-yl phenyl acetate usage levels up to : |
| | 4.0000 % 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 : | 2 |
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| | [(E)-hex-2-enyl] 2-phenylacetate
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| (EINECS) number : | 268-705-8 |
| chemidplus : | 068133788 |
| EPA Substance Registry Services : | 68133-78-8 |
references :
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| | [(E)-hex-2-enyl] 2-phenylacetate
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| fl. number : | 09.400 |
| pubchem : | 686888 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |