octahydrocoumarin
bicyclononalactone (IFF)
Identification
| Name | octahydrocoumarin |
| IUPAC | 3,4,4a,5,6,7,8,8a-octahydrochromen-2-one |
| CAS Number | 4430-31-3 |
| EINECS | 224-623-4 |
| FDA UNII | H6VNF31DVW |
| Molecular Formula | C9 H14 O2 |
| Molecular Weight | 154.20898000 |
| MDL Number | MFCD00221714 |
| Nikkaji Number | J38.333C |
| CoE Number | 13161 |
Regulatory
| JECFA Food Flavoring | 1166 octahydrocoumarin |
| DG SANTE Food Flavourings | 13.161 octahydrocoumarin |
| FEMA Number | 3791 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4430-31-3 ; OCTAHYDROCOUMARIN |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.09200 to 1.09800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.087 to 9.136 |
| Refractive Index | 1.48400 to 1.49900 @ 20.00 °C. |
| Boiling Point | 144.00 to 146.00 °C. @ 16.00 mm Hg, 293.00 to 294.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.006000 mmHg @ 25.00 °C. (est) |
| Flash Point | 305.00 °F. TCC ( 151.67 °C. ) |
| logP (o/w) | 2.520 |
| Shelf Life | 36.00 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 | alcoholic fine fragrance, good |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 400 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. at 1.00 %. Sweet harbaceous or coumarin-like Very useful in preparing coumarin alternatives. More stable than coumarin. It also has a very good Tonka characteristic. Almond, Vanila, Coumarin, hay, coconut note sweet aromatic, lactonic; coconut- and coumarin-like; sharp, fatty, fruity Almond, Coconut, Coumarin, Powder/ Powdery, Sweet, Tonka, Vanilla Almond, Vanila, Coumarin, hay, coconut note
|
| Odor sample from | Takasago International Corp |
| Taste Description | at 5.00 - 10.00 ppm. |
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 3900 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 3500 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 |
| Recommendation for octahydrocoumarin usage levels up to | 10.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.30 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.07 (μg/capita/day) |
| Structure Class | III |
| baked goods | 15.00000 |
| beverages(nonalcoholic) | 1.00000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 10.00000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 2.00000 |
| fruit ices | - |
| gelatins / puddings | 2.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 2.00000 |
| imitation dairy | 1.00000 |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | 1.00000 |
| nut products | 5.00000 |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | 5.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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The Lermond Company
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