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| IUPAC name : | 5-ethyloxolan-2-one |
| InChI : | InChI=1/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3 |
| InChIKey : | JBFHTYHTHYHCDJ-UHFFFAOYAW |
| SMILES : | CCC1CCC(=O)O1 |
| (EINECS) number : | 211-778-8 |
| cas number : | 695-06-7 |
| beilstein number : | 0107260 |
| fema number : | 2556 |
| coe number : | 2254 |
| jecfa number : | 223 |
| fl. number : | 10.021 |
| molar refractivity : | 29.50 ± 0.3 cm3 |
| parachor : | 264.1 ± 6.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 29.0 ± 3.0 dyne/cm |
| density : | 1.002 ± 0.06 g/cm3 |
| polarizability : | 11.69 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 114.1424000 |
| formula : | C6 H10 O2 |
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| IUPAC name : | (5R)-5-ethyloxolan-2-one |
| InChI : | InChI=1/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3/t5-/m1/s1 |
| InChIKey : | JBFHTYHTHYHCDJ-RXMQYKEDBU |
| SMILES : | CC[C@@H]1CCC(=O)O1 |
| cas number : | 695-06-7 |
| molar refractivity : | 29.50 ± 0.3 cm3 |
| parachor : | 264.1 ± 6.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 29.0 ± 3.0 dyne/cm |
| density : | 1.002 ± 0.06 g/cm3 |
| polarizability : | 11.69 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 114.1424000 |
| formula : | C6 H10 O2 |
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| IUPAC name : | (5S)-5-ethyloxolan-2-one |
| InChI : | InChI=1/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3/t5-/m0/s1 |
| InChIKey : | JBFHTYHTHYHCDJ-YFKPBYRVBC |
| SMILES : | CC[C@H]1CCC(=O)O1 |
| cas number : | 695-06-7 |
| molar refractivity : | 29.50 ± 0.3 cm3 |
| parachor : | 264.1 ± 6.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 29.0 ± 3.0 dyne/cm |
| density : | 1.002 ± 0.06 g/cm3 |
| polarizability : | 11.69 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 114.1424000 |
| formula : | C6 H10 O2 |
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| fda reg : | 172.515 |
h. number : | 2932.29.6000 |
| organoleptics : | |
| odor type : | tonka |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | herbal coconut sweet coumarin tobacco |
| taste description³ : | at 75.00 ppm.
Sweet, creamy, vanilla-Iike with green Iactonic powdery nuances |
| substantivity : | 128 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.02000 - 1.02500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.487 to 8.529
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| refractive index : | 1.43700 - 1.44200 @ 20.00 °C.
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| melting point : | -18.00 °C. @ 760.00 mm Hg
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| boiling point : | 100.00 - 102.00 °C. @ 18.00 mm Hg
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| boiling point : | 220.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 0.60 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno, 1977f)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 17,794,1979
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| Maximised Survey-derived Daily Intakes (MSDI) : | 160.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 209.00 °F. TCC ( 98.33 °C. )
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| recommendation for gamma-hexalactone usage levels up to : |
| | 12.0000 % in the fragrance concentrate.
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| recommendation for gamma-hexalactone usage levels up to : |
| | 90.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 211-778-8 |
| rtecs : | LU4220000 for 695-06-7 |
| chemidplus : | 000695067 |
| epa-srs : | 695-06-7 |
| dtp/nci : | 24255 |
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| chemidplus : | 695-06-7 |
| epa-srs : | 695-06-7 |
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| chemidplus : | 695-06-7 |
| epa-srs : | 695-06-7 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 156096 |
| NIST Chemistry WebBook : | 1132740955 |
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| pubchem : | 43782721 |
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| pubchem : | 8004176 |
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| reference : | Mosciano, Gerard P&F 17, No. 3, 57, (1992)³ |