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| IUPAC name : | 5-hexyloxolan-2-one |
| InChI : | InChI=1/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3 |
| InChIKey : | IFYYFLINQYPWGJ-UHFFFAOYAV |
| SMILES : | CCCCCCC1CCC(=O)O1 |
| (EINECS) number : | 211-892-8 |
| cas number : | 706-14-9 |
| beilstein number : | 0117547 |
| fema number : | 2360 |
| coe number : | 2230 |
| jecfa number : | 231 |
| fl. number : | 10.017 |
| molar refractivity : | 48.04 ± 0.3 cm3 |
| parachor : | 424.4 ± 6.0 cm3 |
| index of refraction : | 1.446 ± 0.02 |
| surface tension : | 31.0 ± 3.0 dyne/cm |
| density : | 0.946 ± 0.06 g/cm3 |
| polarizability : | 19.04 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
| BioActivity Analysis : | 48415301 |
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| IUPAC name : | (5R)-5-hexyloxolan-2-one |
| InChI : | InChI=1/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1 |
| InChIKey : | IFYYFLINQYPWGJ-SECBINFHBS |
| SMILES : | CCCCCC[C@@H]1CCC(=O)O1 |
| cas number : | 107797-26-2 |
| molar refractivity : | 48.04 ± 0.3 cm3 |
| parachor : | 424.4 ± 6.0 cm3 |
| index of refraction : | 1.446 ± 0.02 |
| surface tension : | 31.0 ± 3.0 dyne/cm |
| density : | 0.946 ± 0.06 g/cm3 |
| polarizability : | 19.04 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
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| IUPAC name : | (5S)-5-hexyloxolan-2-one |
| InChI : | InChI=1/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m0/s1 |
| InChIKey : | IFYYFLINQYPWGJ-VIFPVBQEBP |
| SMILES : | CCCCCC[C@H]1CCC(=O)O1 |
| cas number : | 107797-27-3 |
| molar refractivity : | 48.04 ± 0.3 cm3 |
| parachor : | 424.4 ± 6.0 cm3 |
| index of refraction : | 1.446 ± 0.02 |
| surface tension : | 31.0 ± 3.0 dyne/cm |
| density : | 0.946 ± 0.06 g/cm3 |
| polarizability : | 19.04 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
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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 %. | fruity creamy peach coconut buttery sweet |
| taste description³ : | at 5.00 ppm.
Fruity, creamy, peach and apricot with a syrupy, fatty nuance |
| substantivity : | 256 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.95000 - 0.95500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.905 to 7.947
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| refractive index : | 1.44700 - 1.45100 @ 20.00 °C.
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| boiling point : | 114.00 - 116.00 °C. @ 0.50 mm Hg
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| boiling point : | 153.00 °C. @ 15.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.72 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| Storage : | refrigerate in tightly sealed containers. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno, 1975h)
Oral-Mouse 56.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 1600.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 200.00 °F. TCC ( 93.33 °C. )
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| recommendation for gamma-decalactone usage levels up to : |
| | 12.0000 % in the fragrance concentrate.
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| recommendation for gamma-decalactone usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 211-892-8 |
| rtecs : | LU4600000 for 706-14-9 |
| chemidplus : | 000706149 |
| epa-srs : | 706-14-9 |
| dtp/nci : | 24248 |
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| chemidplus : | 107797262 |
| epa-srs : | 107797-26-2 |
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| chemidplus : | 107797-27-3 |
| epa-srs : | 107797-27-3 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 156157 |
| NIST Chemistry WebBook : | 2449586027 |
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| pubchem : | 761217 |
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| pubchem : | 43647193 |
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| reference : | Mosciano, Gerard P&F 21, No. 2, 47, (1996)³ |