benzyl isobutyrate
phenylmethyl isobutyrate
Identification
| Name | benzyl isobutyrate |
| IUPAC | benzyl 2-methylpropanoate |
| CAS Number | 103-28-6 |
| EINECS | 203-095-9 |
| FDA UNII | P98PE45V9M |
| Molecular Formula | C11 H14 O2 |
| Molecular Weight | 178.23098000 |
| MDL Number | MFCD00048315 |
| Nikkaji Number | J36.998E |
| Beilstein | 1869299 |
| CoE Number | 301 |
| XlogP3 | 3.00 (est) |
Regulatory
| JECFA Food Flavoring | 844 benzyl isobutyrate |
| DG SANTE Food Flavourings | 09.426 benzyl isobutyrate |
| FEMA Number | 2141 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 103-28-6 ; BENZYL ISOBUTYRATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 1.00000 to 1.00600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.321 to 8.371 |
| Refractive Index | 1.48800 to 1.49200 @ 20.00 °C. |
| Boiling Point | 229.00 to 230.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.051000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 6.1 ( Air = 1 ) |
| Flash Point | 138.00 °F. TCC ( 59.00 °C. ) |
| logP (o/w) | 2.861 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | ethyl alcohol, 1:6 in 70% alcohol |
| Insoluble in | water |
| Stability | non-discoloring in most media |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 12 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Sweet, fruity, powdery with tropical woody and juicy nuances sweet fruity aromatic, somewhat pineapple-like
|
| Odor sample from | Elan Inc. |
| Taste Description |
at 10.00 ppm. aromatic, fruity and sweet with ripe berry nuances
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M,F] 2850 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 benzyl isobutyrate usage levels up to | 6.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 13.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 21.00 (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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