vanillyl isobutyrate
isobutavan (Givaudan)
Identification
| Name | vanillyl isobutyrate |
| IUPAC | (4-formyl-2-methoxyphenyl) 2-methylpropanoate |
| CAS Number | 20665-85-4 |
| EINECS | 243-956-6 |
| FDA UNII | C55654RCNR |
| Molecular Formula | C12 H14 O4 |
| Molecular Weight | 222.24038000 |
| MDL Number | MFCD00169858 |
| Nikkaji Number | J120.486F |
Regulatory
| JECFA Food Flavoring | 891 vanillin isobutyrate |
| DG SANTE Food Flavourings | 09.811 vanillin isobutyrate |
| FEMA Number | 3754 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 20665-85-4 ; VANILLIN ISOBUTYRATE |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.13200 to 1.14000 @ 25.00 °C., 1.13200 to 1.14200 @ 20.00 °C. |
| Pounds per Gallon - (est). | 9.419 to 9.486 |
| Pounds per Gallon - est. | 9.430 to 9.514 |
| Refractive Index | 1.52000 to 1.52600 @ 20.00 °C. |
| Boiling Point | 165.00 to 166.00 °C. @ 2.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 1.980 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | > 400 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Vanilla, Sweet, Fruity sweet balsam vanilla Heavy, sweet, vanilla, nutmeg sweet aromatic, floral; characteristic vanilla and cocoa Sweet, vanilla, creamy with notes of white chocolate and caramel
|
| Odor sample from | Takasago International Corp |
| Taste Description |
sweet vanilla powdery chocolate creamy buttery fruity cheesy sweet aromatic, slightly vanilla, fruity sweet aromatic vanilla fruity
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 [sex: M,F] 4755 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 vanillyl isobutyrate usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 55.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.04 (μg/capita/day) |
| 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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