isobutyl salicylate
salicylic acid, isobutyl ester
Identification
| Name | isobutyl salicylate |
| IUPAC | 2-methylpropyl 2-hydroxybenzoate |
| CAS Number | 87-19-4 |
| EINECS | 201-729-9 |
| FDA UNII | S122C080GX |
| Molecular Formula | C11 H14 O3 |
| Molecular Weight | 194.23018000 |
| MDL Number | MFCD00020035 |
| Nikkaji Number | J36.460F |
| Beilstein | 2615955 |
| CoE Number | 434 |
| XlogP3 | 3.90 (est) |
Regulatory
| JECFA Food Flavoring | 902 isobutyl salicylate |
| DG SANTE Food Flavourings | 09.750 isobutyl salicylate |
| FEMA Number | 2213 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 87-19-4 ; ISOBUTYL SALICYLATE |
| 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 | 98.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 1.03600 to 1.06600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.621 to 8.870 |
| Refractive Index | 1.50800 to 1.51000 @ 20.00 °C. |
| Melting Point | 5.90 °C. @ 760.00 mm Hg |
| Boiling Point | 261.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.006000 mmHg @ 25.00 °C. (est) |
| Flash Point | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w) | 4.000 |
| Shelf Life | 24.00 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 |
| Insoluble in | glycerin |
| Stability | non-discoloring in most media |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 48 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Sweet, spice, cooling, with a wintergreen nuance wintergreen-like, sweet herbaceous-green, slightly floral, with orchid-like nuances aromatic, herbaceous, floreal
|
| Odor sample from | Fragrance Resources Inc. |
| Taste Description |
at 3.00 ppm. sweet cooling spicy fruity sweet aromatic; cooling, spicy with fruity nuances
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 10 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 1560 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 |
| maximum skin levels for fine fragrances | 0.8100 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2002) |
| Recommendation for isobutyl salicylate usage levels up to | 2.0000 % in the fragrance concentrate. |
| use level in formulae for use in cosmetics | 0.1680 % |
| Dermal Systemic Exposure in Cosmetic Products | 0.0043 mg/kg/day (IFRA, 2002) |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.97 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 6.00 (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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