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| IUPAC name : | 4-ethoxybenzaldehyde |
| InChI : | InChI=1/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3 |
| InChIKey : | JRHHJNMASOIRDS-UHFFFAOYAT |
| SMILES : | CCOC1=CC=C(C=C1)C=O |
| cas number : | 10031-82-0 |
| (EINECS) number : | 233-093-3 |
| beilstein number : | 0386863 |
| fema number : | 2413 |
| coe number : | 626 |
| jecfa number : | 879 |
| fl. number : | 05.056 |
| molar refractivity : | 44.31 ± 0.3 cm3 |
| parachor : | 348.7 ± 4.0 cm3 |
| index of refraction : | 1.538 ± 0.02 |
| surface tension : | 36.8 ± 3.0 dyne/cm |
| density : | 1.060 ± 0.06 g/cm3 |
| polarizability : | 17.56 ± 0.5 10-24cm3 |
| XlogP : | 2.10 |
| XlogP3 : | 1.60 |
| molecular weight : | 150.1745000 (IUPAC) |
| formula : | C9 H10 O2 |
| BioActivity Analysis : | 48415443 |
| NMR Predictor : | Predict |
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| export tariff code : | 2912.40 |
| fda reg : | 172.515 |
Suppliers :
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| Fontarome : | 4-ETHOXY BENZALDEHYDE
Odor: Sweet and floral |
| Inoue : | 4-ETHOXYBENZALDEHYDE
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| Penta : | p-ethoxybenzaldehyde
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| Pfaltz & Bauer : | p-Ethoxybenzaldehyde
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| Sigma-Aldrich-SAFC : | 4-Ethoxybenzaldehyde
≥99%, Kosher |
| TCI AMERICA : | 4-Ethoxybenzaldehyde
>98.0%(T) |
organoleptics :
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| odor type : | spicy |
| odor strength : | medium |
odor description : at 100.00 %. | sweet spicy floral anisic |
properties :
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| appearence : | colorless to pale rose yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.07800 to 1.08400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.970 to 9.020
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| refractive index : | 1.55600 to 1.56400 @ 20.00 °C.
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| melting point : | 13.00 to 14.00 °C. @ 760.00 mm Hg
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| boiling point : | 249.00 to 250.00 °C. @ 760.00 mm Hg
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| boiling point : | 140.00 °C. @ 20.00 mm Hg
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| acid value : | 6.00 max. KOH/g
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 2.23 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection.
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| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 2100.00 mg/kg (Moreno, 1977ad)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 681, 1980.
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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) : | 0.073 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.01 (μg/capita/day) |
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| recommendation for homoanisaldehyde usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for homoanisaldehyde usage levels up to : |
| | 1.0000 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 |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 4-ethoxybenzaldehyde
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| (EINECS) number : | 233-093-3 |
| RTECS : | CU6100000 for 10031-82-0 |
| chemidplus : | 010031820 |
| EPA Substance Registry Services : | 10031-82-0 |
| dtp/nci : | 406709 |
references :
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| | 4-ethoxybenzaldehyde
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| fl. number : | 05.056 |
| jecfa number : | 879 |
| NIST Chemistry WebBook : | 2670385128 |
| pubchem : | 167628 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |