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| IUPAC name : | 3-methyl-5-phenylpentanal |
| InChI : | InChI=1/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3 |
| InChIKey : | DFJMIMVMOIFPQG-UHFFFAOYAX |
| SMILES : | CC(CCC1=CC=CC=C1)CC=O |
| cas number : | 55066-49-4 |
| (EINECS) number : | 433-900-0 |
| molar refractivity : | 54.47 ± 0.3 cm3 |
| parachor : | 448.2 ± 4.0 cm3 |
| index of refraction : | 1.497 ± 0.02 |
| surface tension : | 34.0 ± 3.0 dyne/cm |
| density : | 0.947 ± 0.06 g/cm3 |
| polarizability : | 21.59 ± 0.5 10-24cm3 |
| XlogP : | 3.70 |
| molecular weight : | 176.2548400 (IUPAC) |
| formula : | C12 H16 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Mefranal
Odor: Citrus, Aldehydic, Geranium |
| Penta : | 3-methyl-5-phenyl-1-pentanal
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| Vigon : | MEFRANAL
Odor: ALDEHYDIC, LILY OF THE VALLEY |
organoleptics :
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| odor type : | aldehydic |
| odor strength : | medium |
odor description :¹ at 100.00 %. | aldehydic lily green fresh waxy woody |
| odor sample from : | Quest International |
| substantivity : | 184 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96000 to 0.96500 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.997 to 8.039
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| refractive index : | 1.50500 to 1.50700 @ 20.00 °C.
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| boiling point : | 121.00 to 123.00 °C. @ 14.00 mm Hg
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| flash point : | 212.00 °F. TCC ( 100.00 °C. )
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| logP (o/w) : | 3.27 |
safety :
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| most important hazard(s) : | Xn N - Harmful, Dangerous for the environment. |
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R 22 - Harmful if swallowed. R 38 - Irritating to skin. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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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 lily pentanal usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for lily pentanal 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 |
| WISER : | UN 3082 |
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| WGK Germany : | 3 |
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| | 3-methyl-5-phenylpentanal
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| (EINECS) number : | 433-900-0 |
| chemidplus : | 055066494 |
| EPA Substance Registry Services : | 55066-49-4 |
references :
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| | 3-methyl-5-phenylpentanal
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| pubchem : | 685668 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1989)¹ |
| CosIng : | cosmetic data |