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| IUPAC name : | 4-methyl-4-phenylpentan-2-one |
| InChI : | InChI=1/C12H16O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3 |
| InChIKey : | PFDVPCSDZXZDMF-UHFFFAOYAG |
| SMILES : | CC(=O)CC(C)(C)C1=CC=CC=C1 |
| cas number : | 7403-42-1 |
| (EINECS) number : | 231-007-9 |
| molar refractivity : | 53.93 ± 0.3 cm3 |
| parachor : | 439.9 ± 4.0 cm3 |
| index of refraction : | 1.490 ± 0.02 |
| surface tension : | 31.1 ± 3.0 dyne/cm |
| density : | 0.946 ± 0.06 g/cm3 |
| polarizability : | 21.38 ± 0.5 10-24cm3 |
| XlogP : | 2.80 |
| molecular weight : | 176.2548400 (IUPAC) |
| formula : | C12 H16 O |
| BioActivity Analysis : | 104569 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Penta : | 4-methyl-4-phenylpentan-2-one
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| Symrise : | Vetikon®
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| Vigon : | Methyl Phenyl Pentan-2-one Vetikone
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organoleptics :
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| odor strength : | medium |
odor description : at 100.00 %. | green sweet floral honey gardenia |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97050 to 0.97450 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.076 to 8.109
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| refractive index : | 1.50800 to 1.51200 @ 20.00 °C.
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| boiling point : | 252.00 to 253.00 °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) : | 2.37 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
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 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 4-methyl-4-phenyl pentanone usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for 4-methyl-4-phenyl pentanone 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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| | 4-methyl-4-phenylpentan-2-one
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| (EINECS) number : | 231-007-9 |
| chemidplus : | 007403421 |
| EPA Substance Registry Services : | 7403-42-1 |
| dtp/nci : | 54368 |
references :
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| | 4-methyl-4-phenylpentan-2-one
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| pubchem : | 658822 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |