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| IUPAC name : | 5-octyloxolan-2-one |
| InChI : | InChI=1/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3 |
| InChIKey : | WGPCZPLRVAWXPW-UHFFFAOYAB |
| SMILES : | CCCCCCCCC1CCC(=O)O1 |
| (EINECS) number : | 218-971-6 |
| cas number : | 2305-05-7 |
| fema number : | 2400 |
| coe number : | 2240 |
| jecfa number : | 235 |
| fl. number : | 10.019 |
| molar refractivity : | 57.30 ± 0.3 cm3 |
| parachor : | 504.5 ± 6.0 cm3 |
| index of refraction : | 1.450 ± 0.02 |
| surface tension : | 31.5 ± 3.0 dyne/cm |
| density : | 0.931 ± 0.06 g/cm3 |
| polarizability : | 22.71 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 198.3018800 |
| formula : | C12 H22 O2 |
| BioActivity Analysis : | 87372 |
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| fda reg : | 172.515 |
h. number : | 2932.29.6000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fatty peach sweet metallic fruity |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.93300 - 0.93800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.763 to 7.805
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| refractive index : | 1.45100 - 1.45600 @ 20.00 °C.
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| melting point : | 17.00 - 18.00 °C. @ 760.00 mm Hg
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| boiling point : | 130.00 - 132.00 °C. @ 1.50 mm Hg
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| boiling point : | 140.00 - 145.00 °C. @ 5.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.45 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno, 1974d)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 190.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for gamma-dodecalactone usage levels up to : |
| | 12.0000 % in the fragrance concentrate.
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| recommendation for gamma-dodecalactone usage levels up to : |
| | 25.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 218-971-6 |
| rtecs : | LU3600000 for 2305-05-7 |
| chemidplus : | 002305057 |
| epa-srs : | 2305-05-7 |
| dtp/nci : | 26511 |
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| other : | |
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| references : | |
| pubchem : | 160038 |
| NIST Chemistry WebBook : | 2816969953 |
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