isobornyl acetate
DL-isobornyl acetate
Identification
| Name | isobornyl acetate |
| IUPAC | [(1R,4S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate |
| CAS Number | 125-12-2 |
| EINECS | 204-727-6 |
| FDA UNII | 54T6CCU09Z |
| Molecular Formula | C12 H20 O2 |
| Molecular Weight | 196.28980000 |
| MDL Number | MFCD00135943 |
| CoE Number | 2066 |
| XlogP3 | 3.30 (est) |
Regulatory
| JECFA Food Flavoring | 1388 isobornyl acetate |
| DG SANTE Food Flavourings | 09.218 DL-isobornyl acetate |
| FEMA Number | 2160 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 125-12-2 ; ISOBORNYL ACETATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97900 to 0.98400 @ 25.00 °C., 0.98100 to 0.98700 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.146 to 8.188 |
| Pounds per Gallon - est. | 8.172 to 8.222 |
| Refractive Index | 1.46200 to 1.46500 @ 20.00 °C. |
| Optical Rotation | -4.00 to +0.90 |
| Boiling Point | 227.00 to 228.00 °C. @ 760.00 mm Hg, 102.00 to 103.00 °C. @ 13.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.025000 mmHg @ 20.00 °C. |
| Vapor Density | 6.8 ( Air = 1 ) |
| Flash Point | 190.00 °F. TCC ( 87.78 °C. ) |
| logP (o/w) | 3.600 |
| 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 | bath foam |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | fragrance |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 8 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. at 1.00 %. camphoraceous, pine, earth CAMPHOR, PLEASANT, PINE camphoraceous coniferous earthy pineneedle pine balsam camphor Balzamicheky, camphor, grassy, woody sweet
|
| Odor sample from | Ungerer & Company, Inc. |
| Taste Description | at 2.00 - 10.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 10 % solution: non-sensitising. |
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M] > 10000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 20000 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 isobornyl acetate usage levels up to | 30.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 890.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 236.00 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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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