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| IUPAC name : | 2-(2-phenylethoxy)acetaldehyde |
| InChI : | InChI=1/C10H12O2/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5,7H,6,8-9H2 |
| InChIKey : | IPTBGLHPPBSVHE-UHFFFAOYAT |
| SMILES : | C1=CC=C(C=C1)CCOCC=O |
| cas number : | 41847-88-5 |
| (EINECS) number : | 255-565-8 |
| molar refractivity : | 46.99 ± 0.3 cm3 |
| parachor : | 391.9 ± 4.0 cm3 |
| index of refraction : | 1.503 ± 0.02 |
| surface tension : | 36.9 ± 3.0 dyne/cm |
| density : | 1.033 ± 0.06 g/cm3 |
| polarizability : | 18.63 ± 0.5 10-24cm3 |
| XlogP : | 1.70 |
| molecular weight : | 164.2010800 (IUPAC) |
| formula : | C10 H12 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description: at 1.00 % in dipropylene glycol. | hyacinth green rose |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.06900 @ 19.00 °C.
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| refractive index : | 1.52380 @ 24.00 °C.
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| boiling point : | 120.00 °C. @ 13.00 mm Hg
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| boiling point : | 231.00 to 232.00 °C. @ 760.00 mm Hg
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| flash point : | 200.00 °F. TCC ( 93.33 °C. )
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| logP (o/w) : | 1.67 |
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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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 phenethyl oxyacetaldehyde fragrance usage levels up to : |
| | 0.6000 % in the fragrance concentrate.
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| recommendation for phenethyl oxyacetaldehyde flavor usage levels up to : |
| | not for flavor use.
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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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| | 2-(2-phenylethoxy)acetaldehyde |
| (EINECS) number : | 255-565-8 |
| chemidplus : | 041847885 |
| EPA Substance Registry Services : | 41847-88-5 |
references :
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| | 2-(2-phenylethoxy)acetaldehyde |
| pubchem : | 740015 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |