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| IUPAC name : | 2-methyloxolan-3-one |
| InChI : | InChI=1/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3 |
| InChIKey : | FCWYQRVIQDNGBI-UHFFFAOYAD |
| SMILES : | CC1C(=O)CCO1 |
| (EINECS) number : | 221-685-4 |
| cas number : | 3188-00-9 |
| beilstein number : | 1341334 |
| fema number : | 3373 |
| coe number : | 2338 |
| jecfa number : | 1448 |
| fl. number : | 13.042 |
| molar refractivity : | 24.89 ± 0.3 cm3 |
| parachor : | 224.0 ± 6.0 cm3 |
| index of refraction : | 1.430 ± 0.02 |
| surface tension : | 29.3 ± 3.0 dyne/cm |
| density : | 1.040 ± 0.06 g/cm3 |
| polarizability : | 9.86 ± 0.5 10-24cm3 |
| xlogp : | -0.20 |
| molecular weight : | 100.1158200 |
| formula : | C5 H8 O2 |
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| IUPAC name : | (2R)-2-methyloxolan-3-one |
| InChI : | InChI=1/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3/t4-/m1/s1 |
| InChIKey : | FCWYQRVIQDNGBI-SCSAIBSYBZ |
| SMILES : | C[C@@H]1C(=O)CCO1 |
| cas number : | 3188-00-9 |
| molar refractivity : | 24.89 ± 0.3 cm3 |
| parachor : | 224.0 ± 6.0 cm3 |
| index of refraction : | 1.430 ± 0.02 |
| surface tension : | 29.3 ± 3.0 dyne/cm |
| density : | 1.040 ± 0.06 g/cm3 |
| polarizability : | 9.86 ± 0.5 10-24cm3 |
| xlogp : | -0.20 |
| molecular weight : | 100.1158200 |
| formula : | C5 H8 O2 |
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| IUPAC name : | (2S)-2-methyloxolan-3-one |
| InChI : | InChI=1/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3/t4-/m0/s1 |
| InChIKey : | FCWYQRVIQDNGBI-BYPYZUCNBK |
| SMILES : | C[C@H]1C(=O)CCO1 |
| cas number : | 3188-00-9 |
| molar refractivity : | 24.89 ± 0.3 cm3 |
| parachor : | 224.0 ± 6.0 cm3 |
| index of refraction : | 1.430 ± 0.02 |
| surface tension : | 29.3 ± 3.0 dyne/cm |
| density : | 1.040 ± 0.06 g/cm3 |
| polarizability : | 9.86 ± 0.5 10-24cm3 |
| xlogp : | -0.20 |
| molecular weight : | 100.1158200 |
| formula : | C5 H8 O2 |
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| fda reg : | unspecified |
h. number : | 2932.19.0000 |
| organoleptics : | |
| odor type : | solvent |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | sweet solvent bread buttery nut |
| taste description³ : | at 75.00 ppm.
Nutty and astringent with a slight, creamy almond nuance |
| properties : | |
| appearence : | colorless to pale greenish yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03400 - 1.04500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.604 to 8.695
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| refractive index : | 1.42900 - 1.43040 @ 20.00 °C.
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| boiling point : | 138.00 - 139.00 °C. @ 760.00 mm Hg
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| logp : | -0.65 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Mouse 1860.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 103.00 °F. TCC ( 39.44 °C. )
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| recommendation for coffee furanone usage levels up to : |
| | 0.3000 % in the fragrance concentrate.
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| recommendation for coffee furanone usage levels up to : |
| | 75.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 221-685-4 |
| rtecs : | LU3579000 for 3188-00-9 |
| chemidplus : | 003188009 |
| epa-srs : | 3188-00-9 |
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| chemidplus : | 3188-00-9 |
| epa-srs : | 3188-00-9 |
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| chemidplus : | 3188-00-9 |
| epa-srs : | 3188-00-9 |
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| other : | |
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| references : | |
| pubchem : | 161544 |
| NIST Chemistry WebBook : | 3454032066 |
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| pubchem : | 43649431 |
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| pubchem : | 43649432 |
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| reference : | Mosciano, Gerard P&F 20, No. 5, 49, (1995)³ |