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| IUPAC name : | 5-phenylpentan-1-ol |
| InChI : | InChI=1/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey : | DPZMVZIQRMVBBW-UHFFFAOYAQ |
| SMILES : | C1=CC=C(C=C1)CCCCCO |
| cas number : | 10521-91-2 |
| (EINECS) number : | 234-064-8 |
| beilstein number : | 1935233 |
| fema number : | 3618 |
| coe number : | 674 |
| jecfa number : | 675 |
| fl. number : | 02.051 |
| molar refractivity : | 51.23 ± 0.3 cm3 |
| parachor : | 419.9 ± 4.0 cm3 |
| index of refraction : | 1.517 ± 0.02 |
| surface tension : | 37.8 ± 3.0 dyne/cm |
| density : | 0.970 ± 0.06 g/cm3 |
| polarizability : | 20.31 ± 0.5 10-24cm3 |
| XlogP : | 2.90 |
| molecular weight : | 164.2441400 (IUPAC) |
| formula : | C11 H16 O |
| BioActivity Analysis : | 72555 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Penta : | 5-phenyl-1-pentanol
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| SAFC Global® : | 5-Phenyl-1-pentanol
≥98%, Kosher Odor: carnation; medicinal |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description: at 100.00 %. | floral carnation rose lemon verbena |
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 : | 0.97000 to 0.97700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.071 to 8.130
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| refractive index : | 1.51400 to 1.52100 @ 20.00 °C.
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| boiling point : | 155.00 °C. @ 20.00 mm Hg
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| boiling point : | 265.00 to 267.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| vapor pressure : | 0.00400 mm/Hg @ 25.00 °C. |
| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 2.80 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. 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 37/39 - Wear suitable gloves and eye/face protection.
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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) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.10 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for phenyl amyl alcohol fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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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 |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 5-phenylpentan-1-ol |
| (EINECS) number : | 234-064-8 |
| chemidplus : | 010521912 |
| EPA Substance Registry Services : | 10521-91-2 |
| dtp/nci : | 6590 |
references :
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| | 5-phenylpentan-1-ol |
| fl. number : | 02.051 |
| jecfa number : | 675 |
| NIST Chemistry WebBook : | 1496880789 |
| pubchem : | 197789 |
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 |