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| IUPAC name : | pentadecan-2-one |
| InChI : | InChI=1/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3 |
| InChIKey : | CJPNOLIZCWDHJK-UHFFFAOYAR |
| SMILES : | CCCCCCCCCCCCCC(=O)C |
| cas number : | 2345-28-0 |
| (EINECS) number : | 219-064-8 |
| beilstein number : | 1764872 |
| fema number : | 3724 |
| coe number : | 11808 |
| jecfa number : | 299 |
| fl. number : | 07.137 |
| molar refractivity : | 71.57 ± 0.3 cm3 |
| parachor : | 633.9 ± 4.0 cm3 |
| index of refraction : | 1.436 ± 0.02 |
| surface tension : | 28.9 ± 3.0 dyne/cm |
| density : | 0.828 ± 0.06 g/cm3 |
| polarizability : | 28.37 ± 0.5 10-24cm3 |
| XlogP : | 5.40 |
| molecular weight : | 226.3981000 (IUPAC) |
| formula : | C15 H30 O |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Apple : | 2-Pentadecanone
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| Cargill - Alfrebro : | METHYL TRIDECYL KETONE
natural, Kosher |
| Gainworld : | 2-pentadecanone
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| Inoue : | METHYL TRIDECYL KETONE
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| Penta : | 2-pentadecanone
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| Sigma-Aldrich-SAFC : | 2-Pentadecanone
≥98%, Kosher If you get a cover box over Sigma-aldrich web page, click here to set your country of origin. |
organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | fresh jasmin celery |
properties :
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| appearence : | colorless white solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 38.00 to 41.00 °C. @ 760.00 mm Hg
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| boiling point : | 293.00 to 294.00 °C. @ 760.00 mm Hg
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 5.66 |
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) : | 18.00 (μg/capita/day) |
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| recommendation for 2-pentadecanone fragrance usage levels up to : |
| | 0.3000 % 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 |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | pentadecan-2-one |
| (EINECS) number : | 219-064-8 |
| chemidplus : | 002345280 |
| EPA Substance Registry Services : | 2345-28-0 |
references :
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| | pentadecan-2-one |
| fl. number : | 07.137 |
| jecfa number : | 299 |
| NIST Chemistry WebBook : | 1844089962 |
| pubchem : | 197573 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |