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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1-oxacycloheptadec-7-en-2-one |
| InChI : | InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2 |
| InChIKey : | HMWPDRYGIBLSHB-UHFFFAOYAP |
| SMILES : | C1CCCCC=CCCCCC(=O)OCCCC1 |
| (EINECS) number : | 231-929-1 |
| cas number : | 7779-50-2 |
| fema number : | 2555 |
| coe number : | 180 |
| jecfa number : | 240 |
| fl. number : | 10.003 |
| 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 |
| molecular weight : | 252.3923200 |
| formula : | C16 H28 O2 |
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| fda reg : | unspecified |
h. number : | 2932.29.6000 |
| organoleptics : | |
| odor type : | soapy |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet soapy amber fruity berry |
| taste description³ : | at 1.00 ppm. Soapy, perfume-like with a fruity berry nuance |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94700 - 0.95900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.880 to 7.980
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| refractive index : | 1.47300 - 1.47900 @ 20.00 °C.
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| boiling point : | 185.00 - 190.00 °C. @ 16.00 mm Hg
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| logp : | 5.56 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Wohl, 1974a)
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 5.10 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for delta6-isoambrettolide usage levels up to : |
| | 0.8000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 231-929-1 |
| chemidplus : | 007779502 |
| epa-srs : | 7779-50-2 |
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| other : | |
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| references : | |
| jecfa number : | 240 |
| fl. number : | 10.003 |
| pubchem : | 204204 |
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| reference : | Mosciano, Gerard P&F 17, No. 1, 41, (1992)³ |