(Z)-rose oxide
2-(2-methylprop-1-enyl)-4-methyltetrahydropyran
Identification
| Name | (Z)-rose oxide |
| IUPAC | 4-methyl-2-(2-methylprop-1-enyl)oxane |
| CAS Number | 16409-43-1 |
| EINECS | 240-457-5 |
| FDA UNII | 4O51437J50 |
| Molecular Formula | C10 H18 O |
| Molecular Weight | 154.25266000 |
| MDL Number | MFCD00036607 |
| Nikkaji Number | J39.625G |
| Beilstein | 1680588 |
| CoE Number | 2269 |
Regulatory
| JECFA Food Flavoring | 1237 tetrahydro-4-methyl-2-(2-methyl-1-propenyl)pyran |
| DG SANTE Food Flavourings | 13.037 2-(2-methylprop-1-enyl)-4-methyltetrahydropyran |
| FEMA Number | 3236 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 16409-43-1 ; TETRAHYDRO-4-METHYL-2-(2-METHYLPROPEN-1-YL)PYRAN |
Physical Properties
| Appearance | pale yellow to yellow clear liquid (est) |
| Assay | 99.00 to 100.00 sum of isomers |
| 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 | 86.00 °C. @ 20.00 mm Hg, 70.00 °C. @ 12.00 mm Hg |
| Vapor Pressure | 0.551000 mmHg @ 25.00 °C. (est) |
| Flash Point | 157.00 °F. TCC ( 69.44 °C. ) |
| logP (o/w) | 3.186 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | soap |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | fragrance |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | > 8 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in dipropylene glycol. Green, vegetative, floral, herbal and slightly camphoreous with a spicy nuance A rose, geranium odor with an earthy undertone floral, rosy a compound with an intensive note of roses intense floral, rosy herbaceous, floreal, fruity Floral-rose, green-geranium, metalic, wet
|
| Odor sample from | Berje Inc. |
| Taste Description |
at 20.00 ppm. Green, rosy, woody sweet, floral, metallic, lychee-like sweet, floral, metallic, lychee-like green, vegetable, citrus
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 4300 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for (Z)-rose oxide usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.80 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.20 (μg/capita/day) |
| Structure Class | II |
| baked goods | 2.00000 |
| beverages(nonalcoholic) | 0.50000 |
| beverages(alcoholic) | 1.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 5.00000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 1.00000 |
| fruit ices | - |
| gelatins / puddings | 1.00000 |
| granulated sugar | - |
| gravies | 0.02000 |
| hard candy | 2.00000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | 3.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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