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| IUPAC name : | 6-heptyloxan-2-one |
| InChI : | InChI=1/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3 |
| InChIKey : | QRPLZGZHJABGRS-UHFFFAOYAE |
| SMILES : | CCCCCCCC1CCCC(=O)O1 |
| (EINECS) number : | 211-932-4 |
| cas number : | 713-95-1 |
| fema number : | 2401 |
| coe number : | 624 |
| jecfa number : | 236 |
| fl. number : | 10.008 |
| molar refractivity : | 57.28 ± 0.3 cm3 |
| parachor : | 504.5 ± 4.0 cm3 |
| index of refraction : | 1.447 ± 0.02 |
| surface tension : | 30.8 ± 3.0 dyne/cm |
| density : | 0.926 ± 0.06 g/cm3 |
| polarizability : | 22.70 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 198.3018800 |
| formula : | C12 H22 O2 |
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| fda reg : | 172.515 |
h. number : | 2932.29.6000 |
| organoleptics : | |
| odor type : | tropical |
| odor strength : | medium |
odor description :
at 100.00 %. | fresh sweet metallic peach oily coconut buttery |
| taste description³ : | at 10.00 ppm.
Creamy, fatty, dairy, rich buttery, fruity, peach and nutty |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 99.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.94000 - 0.94300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.822 to 7.847
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| refractive index : | 1.45500 - 1.46300 @ 20.00 °C.
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| melting point : | -12.00 °C. @ 760.00 mm Hg
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| boiling point : | 140.00 - 141.00 °C. @ 1.00 mm Hg
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| acid value : | 8.00 max. KOH/g
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| logp : | 3.48 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno, 1977d)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 5800.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for delta-dodecalactone usage levels up to : |
| | 12.0000 % in the fragrance concentrate.
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| recommendation for delta-dodecalactone usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 211-932-4 |
| rtecs : | UQ0850000 for 713-95-1 |
| chemidplus : | 000713951 |
| epa-srs : | 713-95-1 |
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| other : | |
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| references : | |
| pubchem : | 156190 |
| NIST Chemistry WebBook : | 3668505612 |
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| reference : | Mosciano, Gerard P&F 21, No. 3, 51, (1996)³ |