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| IUPAC name : | 2-(3-propan-2-ylphenyl)acetaldehyde |
| InChI : | InChI=1/C11H14O/c1-9(2)11-5-3-4-10(8-11)6-7-12/h3-5,7-9H,6H2,1-2H3 |
| InChIKey : | PLBFBQRBPDVZMR-UHFFFAOYAZ |
| SMILES : | CC(C)C1=CC=CC(=C1)CC=O |
| cas number : | 1335-44-0 |
| (EINECS) number : | 215-634-5 |
| molar refractivity : | 50.17 ± 0.3 cm3 |
| parachor : | 407.7 ± 4.0 cm3 |
| index of refraction : | 1.503 ± 0.02 |
| surface tension : | 33.3 ± 3.0 dyne/cm |
| density : | 0.956 ± 0.06 g/cm3 |
| polarizability : | 19.89 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| molecular weight : | 162.2282600 |
| formula : | C11 H14 O |
| 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 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | green sap foliage wood privet |
| odor sample from : | International Flavors & Fragrances Inc. |
properties :
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| appearence : | colorless to pale yellow clear viscous liquid |
| assay : | 55.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98000 to 0.98500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.155 to 8.196
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| specific gravity : | 0.98100 to 0.98600 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.172 to 8.214
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| refractive index : | 1.52000 to 1.52400 @ 20.00 °C.
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| boiling point : | 241.00 to 242.00 °C. @ 760.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 3.12 |
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 homocuminic aldehyde usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for homocuminic aldehyde 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 : | 2 |
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| | 2-(3-propan-2-ylphenyl)acetaldehyde
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| (EINECS) number : | 215-634-5 |
| chemidplus : | 001335440 |
| EPA Substance Registry Services : | 1335-44-0 |
references :
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| | 2-(3-propan-2-ylphenyl)acetaldehyde
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| pubchem : | 216243 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1990)¹ |
| CosIng : | cosmetic data |