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| IUPAC name : | 16-oxacyclohexadecan-1-one |
| InChI : | InChI=1/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2 |
| InChIKey : | FKUPPRZPSYCDRS-UHFFFAOYAJ |
| SMILES : | C1CCCCCCCOC(=O)CCCCCC1 |
| cas number : | 106-02-5 |
| (EINECS) number : | 203-354-6 |
| beilstein number : | 0143710 |
| fema number : | 2840 |
| coe number : | 181 |
| jecfa number : | 239 |
| fl. number : | 10.004 |
| molar refractivity : | 66.30 ± 0.3 cm3 |
| parachor : | 586.7 ± 6.0 cm3 |
| index of refraction : | 1.435 ± 0.02 |
| surface tension : | 28.6 ± 3.0 dyne/cm |
| density : | 0.892 ± 0.06 g/cm3 |
| polarizability : | 26.28 ± 0.5 10-24cm3 |
| XlogP : | 6.20 |
| molecular weight : | 240.3816200 (IUPAC) |
| formula : | C15 H28 O2 |
| BioActivity Analysis : | 93313 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.29.6000 |
| fda reg : | 172.515 |
Suppliers :
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| Berje : | Cyclo Penta Decanolide
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| Firmenich : | EXALTOLIDE® TOTAL
≥92% Odor: Fine elegant sweet musk odour. |
| Firmenich : | EXALTOLIDE®
≥98% Odor: Extremely fine elegant sweet musk odour. |
| John D. Walsh : | Exaltolide
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| Moellhausen : | macrolide
93% min. nature identical kosher Odor: powerful musk, herbal note (angelica root- like) Flavor: sweet, soap, musk-pear like |
| Penta : | cyclopentadecanolide
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| Polarome : | PENTALIDE
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| Sigma-Aldrich-SAFC : | omega-Pentadecalactone
≥98% |
| Symrise : | Macrolide® supra
Odor: radiant, animal musk-note with sweet and slightly fruity nuance |
| Symrise : | Macrolide®
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| Vigon : | Exaltolide Total
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| Vigon : | Exaltolide
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| Vigon : | Macrolide Supra omega Pentadecalactone
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organoleptics :
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| odor type : | musk |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | musk animal powdery natural fruity |
| odor sample from : | Firmenich & Company Inc. |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 34.00 to 38.00 °C. @ 760.00 mm Hg
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| boiling point : | 137.00 °C. @ 2.00 mm Hg
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| congealing point : | 36.00 °C.
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| flash point : | > 220.00 °F. TCC ( > 104.44 °C. )
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| logP (o/w) : | 6.10 |
| shelf life : | 36.00 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) : | N - Dangerous for the environment. |
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R 53 - May cause long-term adverse effects in the aquatic wnvironment. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Human experience : | 10 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 gm/kg (Levenstein, 1974c)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 787, 1975.
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 73.00 (μg/capita/day) |
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| recommendation for omega-pentadecalactone usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for omega-pentadecalactone usage levels up to : |
| | 10.0000 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... |
| msds : | msds |
| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3077 |
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| WGK Germany : | 1 |
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| | 16-oxacyclohexadecan-1-one
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| (EINECS) number : | 203-354-6 |
| RTECS : | RN9775000 for 106-02-5 |
| chemidplus : | 000106025 |
| EPA Substance Registry Services : | 106-02-5 |
| dtp/nci : | 36763 |
references :
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| | 16-oxacyclohexadecan-1-one
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| fl. number : | 10.004 |
| jecfa number : | 239 |
| NIST Chemistry WebBook : | 1236177204 |
| pubchem : | 10503230 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1983)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| Household Products : | Search |