| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC Name - | 4-methyl-2-(2-methylprop-1-enyl)oxane |
| InChI - | InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3 |
| InChIKey - | CZCBTSFUTPZVKJ-UHFFFAOYAC |
| SMILES - | CC1CCOC(C1)C=C(C)C |
| CAS Number : | 3033-23-6 |
| (EINECS) Number : | 221-217-9 |
| FEMA Number : | 3236 |
| COE Number : | 2269 |
| Molar Refractivity : | 49.59 ± 0.3 cm3 (est) |
| Parachor : | 392.8 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.496 ± 0.02 (est) |
| Surface Tension : | 28.7 ± 3.0 dyne/cm (est) |
| Density : | 0.909 ± 0.06 g/cm3 (est) |
| Polarizability : | 19.66 ± 0.5 10-24cm3 (est) |
| XlogP : | 2.70 (est) |
| Molecular Weight : | 154.2493200 (IUPAC) (PT) (112) |
| Formula : | C10 H18 O |
| Pherobase Floral: | view |
| NMR Predictor : | Predict |
|
|
| |
| |
| Category : | flavor and fragrance agents |
Suppliers :
|
| Bedoukian Research : | cis-ROSE OXIDE
≥98.0% (sum of isomers), Kosher Odor: clean floral, green rosy, fresh, geranium Rose note in fine fragrances, soaps, detergents, beauty care products, household products. Flavor: floral lychee, raspberry, blackberry. |
| Penta : | l-rose oxide
|
| Symrise : | Rose oxide L
|
Organoleptics :
|
| Odor Type : | floral |
| Odor Strength : | high , recommend smelling in a 1.00 % solution or less |
Odor Description: at 1.00 % in dipropylene glycol. | rose cortex green floral geranium powdery metallic Luebke, William tgsc, (1989) |
| Odor sample from : | Dragoco Inc. |
| Substantivity : | 388 Hour(s) |
Properties :
|
| Appearence : | colorless clear liquid |
| Assay : | 97.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| Specific Gravity : | 0.86500 to 0.87300 @ 25.00 °C.
|
| Pounds per Gallon - est. : | 7.198 to 7.264
|
| Refractive Index : | 1.45000 to 1.45700 @ 20.00 °C.
|
| Boiling Point : | 71.00 to 73.00 °C. @ 12.00 mm Hg
|
| Vapor Pressure : | 0.50000 mm/Hg @ 20.00 °C. |
| Flash Point : | 154.00 °F. TCC ( 67.78 °C. )
|
| logP (o/w) : | 3.13 |
Safety :
|
| Most important hazard(s) : | Xi - Irritant |
| |
R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 36 - Wear suitable protective clothing.
|
| Human Experience : | 2 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
| |
Oral-Rat 4300.00 mg/kg
|
| Dermal Toxicity(LD50) : | |
| |
Skin-Rabbit >5000.00 mg/kg
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
Safety in Use :
|
| Category : | flavor and fragrance agents |
| |
| Recommendation for laevo-rose oxide fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
|
| Recommendation for laevo-rose oxide flavor usage levels up to : |
| | 2.0000 ppm in the flavor.
|
Safety References :
|
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| |
| WGK Germany : | 2 |
| |
| |
| |
| | 4-methyl-2-(2-methylprop-1-enyl)oxane |
| (EINECS) Number : | 221-217-9 |
| Chemidplus : | 016409431 |
| EPA Substance Registry Services : | 3033-23-6 |
References :
|
| Leffingwell : | chirality |
| | 4-methyl-2-(2-methylprop-1-enyl)oxane |
| NIST Chemistry WebBook : | 2165975800 |
| Pubchem : | 170401 |
| Flavornet : | 3033-23-6 |
Cosmetics :
|
| Cosmetic Uses : |
perfuming agents
|
Other :
|
| CosIng : | cosmetic data |
| Export Tariff Code : | 2932.99.9000 |
| FMA : | listed |
| RIFM : | listed |
| VCF-Online: | VCF Volatile Compounds in Food |