pineapple hydroxyhexanoate
methyl 3-hydroxyhexanoate
Identification
| Name | pineapple hydroxyhexanoate |
| IUPAC | methyl 3-hydroxyhexanoate |
| CAS Number | 21188-58-9 |
| EINECS | 244-261-0 |
| FDA UNII | 8H646ZUC4E |
| Molecular Formula | C7 H14 O3 |
| Molecular Weight | 146.18618000 |
| MDL Number | MFCD00083583 |
| Nikkaji Number | J140.275G |
| CoE Number | 10812 |
Regulatory
| JECFA Food Flavoring | 600 methyl 3-hydroxyhexanoate |
| DG SANTE Food Flavourings | 09.532 methyl 3-hydroxyhexanoate |
| FEMA Number | 3508 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 21188-58-9 ; METHYL 3-HYDROXYHEXANOATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 220.00 to 221.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.020000 mmHg @ 25.00 °C. (est) |
| Flash Point | 185.00 °F. TCC ( 85.00 °C. ) |
| logP (o/w) | 0.607 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 10.00 % in dipropylene glycol. Sweet, woody, overripe, fruity, estry and pineapple-like with woody tropical nuances Powerful winey, ethereal, fruity Powerful winey odor, somewhat juicy
|
| Taste Description | at 5.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| 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 pineapple hydroxyhexanoate usage levels up to | 4.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.85 (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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