rose butanoate
phenethyl 2-methylbutyrate
Identification
| Name | rose butanoate |
| IUPAC | 2-phenylethyl 2-methylbutanoate |
| CAS Number | 24817-51-4 |
| EINECS | 246-476-5 |
| FDA UNII | 4D2I5SJ45Q |
| Molecular Formula | C13 H18 O2 |
| Molecular Weight | 206.28486000 |
| MDL Number | MFCD00061557 |
| Nikkaji Number | J185.965J |
| Beilstein | 2266397 |
| CoE Number | 10883 |
Regulatory
| JECFA Food Flavoring | 993 phenethyl 2-methylbutyrate |
| DG SANTE Food Flavourings | 09.538 phenethyl 2-methylbutyrate |
| FEMA Number | 3632 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 24817-51-4 ; PHENETHYL 2-METHYLBUTYRATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97400 to 0.98000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.105 to 8.155 |
| Refractive Index | 1.48100 to 1.48900 @ 20.00 °C. |
| Boiling Point | 136.00 °C. @ 30.00 mm Hg, 230.00 °C. @ 760.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w) | 3.671 (est) |
| Shelf Life | 36.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 48 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Green, floral, sweet, fruity, waxy Floral, Fruity FLORAL,GREEN,SWEET,TROPICAL,ROSE
|
| Odor sample from | CA Aromatics Company Inc. |
| Taste Description | at 30.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 rose butanoate usage levels up to | 12.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.37 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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