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| IUPAC name : | 3-methylcyclopentadecan-1-one |
| InChI : | InChI=1/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3 |
| InChIKey : | ALHUZKCOMYUFRB-UHFFFAOYAF |
| SMILES : | CC1CCCCCCCCCCCCC(=O)C1 |
| cas number : | 541-91-3 |
| (EINECS) number : | 208-795-8 |
| fema number : | 3434 |
| coe number : | 11135 |
| jecfa number : | 1402 |
| fl. number : | 07.111 |
| molar refractivity : | 74.01 ± 0.3 cm3 |
| parachor : | 644.5 ± 6.0 cm3 |
| index of refraction : | 1.436 ± 0.02 |
| surface tension : | 27.0 ± 3.0 dyne/cm |
| density : | 0.843 ± 0.06 g/cm3 |
| polarizability : | 29.34 ± 0.5 10-24cm3 |
| XlogP : | 5.30 |
| molecular weight : | 238.4088000 (IUPAC) |
| formula : | C16 H30 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Firmenich : | MUSCONE
≥95% Odor: Very soft, sweet, musky odour and a perfumery, animal tonality. |
| Moellhausen : | muscone
95% min. nature identical kosher Odor: musky, slightly fruity, erogenic |
| Penta : | 3-methyl-1-cyclopentadecanone
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| Vigon : | Muscone
Odor: ANIMAL, MUSK |
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. | sweet musk animal powdery fatty natural |
| odor sample from : | Firmenich & Company Inc. |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91800 to 0.92500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.639 to 7.697
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| refractive index : | 1.47700 to 1.48100 @ 20.00 °C.
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| melting point : | 8.60 °C. @ 760.00 mm Hg
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| boiling point : | 320.00 to 329.00 °C. @ 760.00 mm Hg
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| boiling point : | 130.00 °C. @ 0.50 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 5.96 |
| 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 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 36 - Wear suitable protective clothing.
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| Human experience : | 30 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat [sex: M,F] >5000.00 mg/kg (Oh et al., 1997)
intravenous-Mouse 152.00 mg/kg
Intraperitoneal-Mouse 270.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg
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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) : | 0.34 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.009 (μg/capita/day) |
| Structure Class : | II |
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| recommendation for dextro,laevo-muscone usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for dextro,laevo-muscone usage levels up to : |
| | 1.0000 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 |
| NLM Hazardous Substances Data Bank : | search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 3-methylcyclopentadecan-1-one
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| (EINECS) number : | 208-795-8 |
| chemidplus : | 000541913 |
| EPA Substance Registry Services : | 541-91-3 |
references :
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| | 3-methylcyclopentadecan-1-one
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| fl. number : | 07.111 |
| jecfa number : | 1402 |
| NIST Chemistry WebBook : | 268950102 |
| pubchem : | 154247 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1986)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |