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| IUPAC name : | 1-phenylpentan-2-ol |
| InChI : | InChI=1/C11H16O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3 |
| InChIKey : | FCURFTSXOIATDW-UHFFFAOYAG |
| SMILES : | CCCC(CC1=CC=CC=C1)O |
| cas number : | 705-73-7 |
| (EINECS) number : | 211-887-0 |
| fema number : | 2953 |
| coe number : | 83 |
| jecfa number : | 825 |
| fl. number : | 02.034 |
| molar refractivity : | 51.19 ± 0.3 cm3 |
| parachor : | 417.3 ± 4.0 cm3 |
| index of refraction : | 1.515 ± 0.02 |
| surface tension : | 36.6 ± 3.0 dyne/cm |
| density : | 0.968 ± 0.06 g/cm3 |
| polarizability : | 20.29 ± 0.5 10-24cm3 |
| XlogP : | 2.80 |
| molecular weight : | 164.2441400 (IUPAC) |
| formula : | C11 H16 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 172.515 |
Suppliers :
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| SAFC Global® : | 1-Phenyl-2-pentanol
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organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description: at 100.00 %. | mild green sweet earthy |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95700 to 0.96400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.963 to 8.021
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| refractive index : | 1.50800 to 1.51300 @ 20.00 °C.
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| boiling point : | 247.00 °C. @ 760.00 mm Hg
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| boiling point : | 75.00 °C. @ 0.50 mm Hg
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| flash point : | 221.00 °F. TCC ( 105.00 °C. )
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| logP (o/w) : | 2.77 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 1.00 (μg/capita/day) |
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| recommendation for 1-phenyl-2-pentanol fragrance usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for 1-phenyl-2-pentanol flavor usage levels up to : |
| | 5.0000 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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| | 1-phenylpentan-2-ol |
| (EINECS) number : | 211-887-0 |
| chemidplus : | 000705737 |
| EPA Substance Registry Services : | 705-73-7 |
references :
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| | 1-phenylpentan-2-ol |
| fl. number : | 02.034 |
| jecfa number : | 825 |
| NIST Chemistry WebBook : | 2948272435 |
| pubchem : | 197463 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |