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| IUPAC name : | 3-(4-propan-2-ylphenyl)propanal |
| InChI : | InChI=1/C12H16O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h5-10H,3-4H2,1-2H3 |
| InChIKey : | RLEFOSDUWZYGOS-UHFFFAOYAU |
| SMILES : | CC(C)C1=CC=C(C=C1)CCC=O |
| cas number : | 7775-00-0 |
| (EINECS) number : | 231-885-3 |
| fema number : | 2957 |
| coe number : | 2261 |
| jecfa number : | 680 |
| fl. number : | 05.094 |
| molar refractivity : | 54.80 ± 0.3 cm3 |
| parachor : | 447.5 ± 4.0 cm3 |
| index of refraction : | 1.500 ± 0.02 |
| surface tension : | 33.4 ± 3.0 dyne/cm |
| density : | 0.946 ± 0.06 g/cm3 |
| polarizability : | 21.72 ± 0.5 10-24cm3 |
| XlogP : | 3.40 |
| molecular weight : | 176.2548400 |
| formula : | C12 H16 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 172.515 |
organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description : at 100.00 %. | sweet green floral |
properties :
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| appearence : | colorless clear viscous liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 253.00 to 254.00 °C. @ 760.00 mm Hg
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| flash point : | 233.00 °F. TCC ( 111.67 °C. )
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| logP (o/w) : | 3.38 |
safety :
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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
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| recommendation for cuminyl acetaldehyde usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for cuminyl acetaldehyde usage levels up to : |
| | 3.0000 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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| | 3-(4-propan-2-ylphenyl)propanal
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| (EINECS) number : | 231-885-3 |
| chemidplus : | 007775000 |
| EPA Substance Registry Services : | 7775-00-0 |
references :
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| | 3-(4-propan-2-ylphenyl)propanal
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| fl. number : | 05.094 |
| jecfa number : | 680 |
| pubchem : | 204191 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |