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| IUPAC name : | (9Z)-cycloheptadec-9-en-1-one |
| InChI : | InChI=1/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1- |
| InChIKey : | ZKVZSBSZTMPBQR-UPHRSURJBS |
| SMILES : | C1CCC/C=C\CCCCCCCC(=O)CCC1 |
| cas number : | 542-46-1 |
| (EINECS) number : | 208-813-4 |
| beilstein number : | 1954923 |
| fema number : | 3425 |
| coe number : | 11744 |
| jecfa number : | 1401 |
| fl. number : | 07.110 |
| molar refractivity : | 78.13 ± 0.3 cm3 |
| parachor : | 674.2 ± 6.0 cm3 |
| index of refraction : | 1.448 ± 0.02 |
| surface tension : | 28.6 ± 3.0 dyne/cm |
| density : | 0.859 ± 0.06 g/cm3 |
| polarizability : | 30.97 ± 0.5 10-24cm3 |
| XlogP : | 5.40 |
| XlogP3-AA : | 6.10 |
| molecular weight : | 250.4195000 (IUPAC) |
| formula : | C17 H30 O |
| BioActivity Analysis : | 397151 |
| NMR Predictor : | Predict |
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| IUPAC name : | (9E)-cycloheptadec-9-en-1-one |
| InChI : | InChI=1/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1+ |
| InChIKey : | ZKVZSBSZTMPBQR-OWOJBTEDBR |
| SMILES : | C1CCC/C=C/CCCCCCCC(=O)CCC1 |
| cas number : | 1502-37-0 |
| molar refractivity : | 78.13 ± 0.3 cm3 |
| parachor : | 674.2 ± 6.0 cm3 |
| index of refraction : | 1.448 ± 0.02 |
| surface tension : | 28.6 ± 3.0 dyne/cm |
| density : | 0.859 ± 0.06 g/cm3 |
| polarizability : | 30.97 ± 0.5 10-24cm3 |
| XlogP : | 5.40 |
| XlogP3-AA : | 6.10 |
| molecular weight : | 250.4195000 (IUPAC) |
| formula : | C17 H30 O |
| NMR Predictor : | Predict |
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| IUPAC name : | cycloheptadec-9-en-1-one |
| InChI : | InChI=1/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2 |
| InChIKey : | ZKVZSBSZTMPBQR-UHFFFAOYAG |
| SMILES : | C1CCCC=CCCCCCCCC(=O)CCC1 |
| cas number : | 74244-64-7 |
| beilstein number : | 1954923 |
| molar refractivity : | 78.13 ± 0.3 cm3 |
| parachor : | 674.2 ± 6.0 cm3 |
| index of refraction : | 1.448 ± 0.02 |
| surface tension : | 28.6 ± 3.0 dyne/cm |
| density : | 0.859 ± 0.06 g/cm3 |
| polarizability : | 30.97 ± 0.5 10-24cm3 |
| XlogP : | 5.40 |
| XlogP3-AA : | 6.10 |
| molecular weight : | 250.4195000 (IUPAC) |
| formula : | C17 H30 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Firmenich : | Civettone
≥88% Odor: A warm, sensuous animal and musky note; very powerful and diffusive Extremely tenacious, it has the ability to exalt and fix all kinds of perfumes. It harmonizes particularly well with floral, aldehydic, chypre, oriental and animal notes and gives elegant musky effects. It is indispensable for the reconstitution of Civet. Effective at very low levels such as 0.01%, but can be used at concentrations of up to 1% or 2%. |
| Penta : | civetone
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| SAFC Global® : | Cycloheptadec-9-en-1-one
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organoleptics :
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| odor type : | musk |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description: at 1.00 % in dipropylene glycol. | clean musk dry animal sweet Luebke, William tgsc, (1984) |
| odor sample from : | Firmenich & Company Inc. |
| substantivity : | 308 hour(s) at 100.00 % |
properties :
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| appearence : | colorless to white liquid to crystalline solid |
| assay : | 97.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| refractive index : | 1.48500 to 1.49200 @ 20.00 °C.
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| melting point : | 37.50 to 38.50 °C. @ 760.00 mm Hg
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| boiling point : | 342.00 to 343.00 °C. @ 760.00 mm Hg
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| boiling point : | 158.00 to 160.00 °C. @ 2.00 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) : | 6.31 |
safety :
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| Human experience : | 4 % solution: no irritation or sensitization. |
| 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) : | 0.26 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.05 (μg/capita/day) |
| Structure Class : | II |
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| recommendation for civet decenone fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for civet decenone flavor usage levels up to : |
| | 0.5000 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 |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | (9Z)-cycloheptadec-9-en-1-one |
| (EINECS) number : | 208-813-4 |
| chemidplus : | 000542461 |
| EPA Substance Registry Services : | 542-46-1 |
| dtp/nci : | 90305 |
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| | (9E)-cycloheptadec-9-en-1-one |
| chemidplus : | 1502-37-0 |
| EPA Substance Registry Services : | 1502-37-0 |
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| | cycloheptadec-9-en-1-one |
| chemidplus : | 000542461 |
| EPA Substance Registry Services : | 74244-64-7 |
references :
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| | (9Z)-cycloheptadec-9-en-1-one |
| fl. number : | 07.110 |
| jecfa number : | 1401 |
| NIST Chemistry WebBook : | 3456102052 |
| pubchem : | 154255 |
| | (9E)-cycloheptadec-9-en-1-one |
| pubchem : | 44375491 |
| | cycloheptadec-9-en-1-one |
| pubchem : | 29279309 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |