isoamyl salicylate
isopentyl salicylate
Identification
| Name | isoamyl salicylate |
| IUPAC | 3-methylbutyl 2-hydroxybenzoate |
| CAS Number | 87-20-7 |
| EINECS | 201-730-4 |
| FDA UNII | M25E4ZMR0N |
| Molecular Formula | C12 H16 O3 |
| Molecular Weight | 208.25712000 |
| MDL Number | MFCD00020037 |
| Nikkaji Number | J4.275G |
| Beilstein | 2580465 |
| CoE Number | 435 |
| XlogP3 | 4.60 (est) |
Regulatory
| JECFA Food Flavoring | 903 isoamyl salicylate |
| DG SANTE Food Flavourings | 09.751 isopentyl salicylate |
| FEMA Number | 2084 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 87-20-7 ; ISOAMYL SALICYLATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Additional Assay Information | sum of isoamyl and amyl salicylate |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 1.04900 to 1.05500 @ 25.00 °C., 1.05000 to 1.05600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.729 to 8.779 |
| Pounds per Gallon - est. | 8.747 to 8.797 |
| Refractive Index | 1.50700 to 1.50900 @ 20.00 °C. |
| Boiling Point | 277.00 to 278.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 4.370 |
| 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 | water |
| Stability | antiperspirant |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 124 hour(s) at 100.00 % |
| Odor Description | at 100.00 %. |
| Odor sample from | Harrmann & Reimer Corporation |
| Taste Description | at 20.00 ppm in water. |
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 4100 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 |
| maximum skin levels for fine fragrances | 2.1900 % 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 isoamyl salicylate usage levels up to | 14.0000 % in the fragrance concentrate. |
| use level in formulae for use in cosmetics | 4.0900 % |
| Dermal Systemic Exposure in Cosmetic Products | 0.1042 mg/kg/day (IFRA, 2002) |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 41.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 7.00 (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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