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| IUPAC name : | (7Z)-17-oxacycloheptadec-7-en-1-one |
| InChI : | InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2- |
| InChIKey : | NVIPUOMWGQAOIT-RQOWECAXBG |
| SMILES : | C1CCCCOC(=O)CCCCC\C=C/CCC1 |
| cas number : | 123-69-3 |
| (EINECS) number : | 204-644-5 |
| fl. number : | 10.059 |
| molar refractivity : | 75.12 ± 0.3 cm3 |
| parachor : | 654.5 ± 6.0 cm3 |
| index of refraction : | 1.444 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.893 ± 0.06 g/cm3 |
| polarizability : | 29.78 ± 0.5 10-24cm3 |
| XlogP : | 6.10 |
| XlogP3-AA : | 5.50 |
| molecular weight : | 252.3923200 (IUPAC) |
| formula : | C16 H28 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | oxacycloheptadec-8-en-2-one,(Z)-
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| Pfaltz & Bauer : | Ambrettolide
98% |
organoleptics :
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| odor strength : | medium |
odor description : at 100.00 %. | musty animal |
properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 398.00 to 399.00 °C. @ 760.00 mm Hg
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| flash point : | 334.00 °F. TCC ( 167.78 °C. )
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| logP (o/w) : | 5.52 |
safety :
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| Oral Toxicity(LD50) : |
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Oral-Mouse 1600.00 mg/kg Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
Oral-Rat 339.00 mg/kg Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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safety references :
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| EPI System : | view |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | (7Z)-17-oxacycloheptadec-7-en-1-one
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| (EINECS) number : | 204-644-5 |
| chemidplus : | 000123693 |
| EPA Substance Registry Services : | 123-69-3 |
references :
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| | (7Z)-17-oxacycloheptadec-7-en-1-one
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| fl. number : | 10.059 |
| NIST Chemistry WebBook : | 2526382605 |
| pubchem : | 173309 |
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 |