whiskey lactone
4-hydroxy-3-methyloctanoic acid gamma-lactone
Identification
| Name | whiskey lactone |
| IUPAC | 5-butyl-4-methyloxolan-2-one |
| CAS Number | 39212-23-2 |
| EINECS | 254-357-4 |
| FDA UNII | HKX8Y5BUAO |
| Molecular Formula | C9 H16 O2 |
| Molecular Weight | 156.22492000 |
| MDL Number | MFCD00209540 |
| Nikkaji Number | J47.448G |
| CoE Number | 10535 |
Regulatory
| JECFA Food Flavoring | 437 4-hydroxy-3-methyloctanoic acid gamma-lactone |
| DG SANTE Food Flavourings | 10.053 3-methyloctano-1,4-lactone |
| FEMA Number | 3803 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 39212-23-2 ; 4-HYDROXY-3-METHYLOCTANOIC ACID LACTONE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.95900 to 0.96700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.980 to 8.046 |
| Refractive Index | 1.44100 to 1.45700 @ 20.00 °C. |
| Boiling Point | 93.00 to 94.00 °C. @ 5.00 mm Hg |
| Vapor Pressure | 0.027000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 1.968 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | alcohol, good |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 59 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Coumarinic, coconut, Iactonic, woody, maple and lovage with a slightly toasted, nutty nuance Warm cocoa, wine-like, maple effect of excellent tenacity Tonka, Coconut, Toasted, Celery, Nutty, Burnt, Coumarin Warm aroma of cocoa, wine, maple syrup Warm coco winey odor with maple effect
|
| Odor sample from | Kingchem Laboratories Inc. |
| Taste Description |
at 0.50 ppm. Woody, Coconut, Creamy and Nutty with Toasted Nuance Winey coco
|
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 whiskey lactone usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| baked goods | - |
| beverages(nonalcoholic) | 0.50000 |
| beverages(alcoholic) | 1.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 2.00000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 1.00000 |
| 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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