| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 4,6-dimethylpyran-2-one |
| InChI : | InChI=1/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3 |
| InChIKey : | IXYLIUKQQQXXON-UHFFFAOYAS |
| SMILES : | CC1=CC(=O)OC(=C1)C |
| cas number : | 675-09-2 |
| (EINECS) number : | 211-618-7 |
| beilstein number : | 0002468 |
| molar refractivity : | 33.40 ± 0.3 cm3 |
| parachor : | 274.0 ± 6.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 30.5 ± 3.0 dyne/cm |
| density : | 1.065 ± 0.06 g/cm3 |
| polarizability : | 13.24 ± 0.5 10-24cm3 |
| XlogP : | 1.00 |
| molecular weight : | 124.1372200 (IUPAC) |
| formula : | C7 H8 O2 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2932.29.5050 |
| fda reg : | unspecified |
Suppliers :
|
| Givaudan : | Levistamel
30%/TEC Odor: Sweet, Caramel, Licorice, Balsamic |
| Vigon : | Levistamel
30% in TEC |
organoleptics :
|
| odor type : | caramellic |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet caramel sugar green balsam |
properties :
|
| assay : | 98.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| melting point : | 48.00 to 50.00 °C. @ 760.00 mm Hg
|
| boiling point : | 245.00 to 246.00 °C. @ 760.00 mm Hg
|
| flash point : | 235.00 °F. TCC ( 112.78 °C. )
|
| logP (o/w) : | 0.85 |
safety :
|
| most important hazard(s) : | Xi - Irritant |
| |
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
|
| Oral Toxicity(LD50) : |
| |
Intraperitoneal-Mouse 750.00 mg/kg
|
| Dermal Toxicity(LD50) : |
| |
Not determined
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| |
| recommendation for mesitene lactone usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
|
| recommendation for mesitene lactone usage levels up to : |
| | not for flavor use.
|
safety references :
|
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| |
| WGK Germany : | 3 |
| |
| |
| |
| | 4,6-dimethylpyran-2-one
|
| (EINECS) number : | 211-618-7 |
| RTECS : | UQ0700000 for 675-09-2 |
| chemidplus : | 000675092 |
| EPA Substance Registry Services : | 675-09-2 |
| dtp/nci : | 402790 |
references :
|
| | 4,6-dimethylpyran-2-one
|
| NIST Chemistry WebBook : | 774553284 |
| pubchem : | 155996 |
Cosmetics :
|
| Cosmetic uses : |
perfuming agents
|
other :
|
| CosIng : | cosmetic data |