| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | 5-[(Z)-oct-2-enyl]oxolan-2-one |
| InChI : | InChI=1/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3/b7-6- |
| InChIKey : | QFXOXDSHNXAFEY-SREVYHEPBO |
| SMILES : | CCCCC\C=C/CC1CCC(=O)O1 |
| cas number : | 18679-18-0 |
| (EINECS) number : | 242-497-9 |
| fema number : | 3780 |
| coe number : | 625 |
| jecfa number : | 249 |
| fl. number : | 10.009 |
| molar refractivity : | 57.36 ± 0.3 cm3 |
| parachor : | 492.2 ± 6.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 32.2 ± 3.0 dyne/cm |
| density : | 0.950 ± 0.06 g/cm3 |
| polarizability : | 22.74 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| molecular weight : | 196.2860000 (IUPAC) |
| formula : | C12 H20 O2 |
| NMR Predictor : | Predict |
|
|
| |
|
| IUPAC name : | 5-[(E)-oct-2-enyl]oxolan-2-one |
| InChI : | InChI=1/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+ |
| InChIKey : | QFXOXDSHNXAFEY-VOTSOKGWBO |
| SMILES : | CCCCC\C=C\CC1CCC(=O)O1 |
| cas number : | 18679-18-0 (E) |
| molar refractivity : | 57.36 ± 0.3 cm3 |
| parachor : | 492.2 ± 6.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 32.2 ± 3.0 dyne/cm |
| density : | 0.950 ± 0.06 g/cm3 |
| polarizability : | 22.74 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| molecular weight : | 196.2860000 (IUPAC) |
| formula : | C12 H20 O2 |
| NMR Predictor : | Predict |
|
|
| |
|
| IUPAC name : | 5-oct-2-enyloxolan-2-one |
| InChI : | InChI=1/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3 |
| InChIKey : | QFXOXDSHNXAFEY-UHFFFAOYAZ |
| SMILES : | CCCCCC=CCC1CCC(=O)O1 |
| cas number : | 15456-69-6 |
| molar refractivity : | 57.36 ± 0.3 cm3 |
| parachor : | 492.2 ± 6.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 32.2 ± 3.0 dyne/cm |
| density : | 0.950 ± 0.06 g/cm3 |
| polarizability : | 22.74 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| molecular weight : | 196.2860000 (IUPAC) |
| formula : | C12 H20 O2 |
| NMR Predictor : | Predict |
|
|
| |
|
| export tariff code : | 2932.29.6000 |
| fda reg : | unspecified |
Suppliers :
|
| Penta : | gamma-dodecen-6-lactone
|
| Treatt : | cis-6-Dodecen-4-olide
|
organoleptics :
|
| odor type : | fatty |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | sweet fatty waxy dairy creamy fruity |
odor description: at 2.00 %. | Sweet, fatty, waxy, dairy and creamy with a Iactonic, fruity nuance Mosciano, Gerard P&F 22, No. 6, 41, (1997) |
taste description: at 5.00 ppm. | Fatty, waxy, creamy and dairy-like with a Iactonic fruitness Mosciano, Gerard P&F 22, No. 6, 41, (1997) |
properties :
|
| appearence : | colorless to yellow clear liquid |
| assay : | 85.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98800 @ 25.00 °C.
|
| refractive index : | 1.44600 @ 20.00 °C.
|
| boiling point : | 159.00 °C. @ 10.00 mm Hg
|
| boiling point : | 310.00 to 311.00 °C. @ 760.00 mm Hg
|
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
|
| logP (o/w) : | 3.08 |
safety :
|
| Oral Toxicity(LD50) : | |
| |
Oral-Rat [sex: M,F] >5000.00 mg/kg (Watanabe & Morimoto, 1990a)
|
| Dermal Toxicity(LD50) : | |
| |
Not determined
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
safety in use :
|
| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.012 (μg/capita/day) |
| |
| recommendation for dairy lactone fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
|
| recommendation for dairy lactone flavor usage levels up to : |
| | 10.0000 ppm in the flavor.
|
safety references :
|
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| |
| |
| |
| | 5-[(Z)-oct-2-enyl]oxolan-2-one |
| (EINECS) number : | 242-497-9 |
| chemidplus : | 018679180 |
| EPA Substance Registry Services : | 18679-18-0 |
| | 5-[(E)-oct-2-enyl]oxolan-2-one |
| |
| |
| | 5-oct-2-enyloxolan-2-one |
| chemidplus : | 15456-69-6 |
| EPA Substance Registry Services : | 15456-69-6 |
references :
|
| | 5-[(Z)-oct-2-enyl]oxolan-2-one |
| fl. number : | 10.009 |
| jecfa number : | 249 |
| NIST Chemistry WebBook : | 4016747378 |
| pubchem : | 204638 |
| Flavornet : | 18679-18-0 |
| | 5-[(E)-oct-2-enyl]oxolan-2-one |
| NIST Chemistry WebBook : | 1553462634 |
| pubchem : | 10545012 |
| | 5-oct-2-enyloxolan-2-one |
| pubchem : | 43119804 |
| Flavornet : | 15456-69-6 |
other :
|
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |