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| IUPAC name : | [(1S,4S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate |
| InChI : | InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1 |
| InChIKey : | KGEKLUUHTZCSIP-HOSYDEDBBJ |
| SMILES : | CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C |
| (EINECS) number : | 227-101-4 |
| cas number : | 5655-61-8 |
| beilstein number : | 2502036 |
| fema number : | 4080 |
| coe number : | 207 |
| jecfa number : | 1387 |
| fl. number : | 09.848 |
| molar refractivity : | 55.34 ± 0.4 cm3 |
| parachor : | 465.6 ± 6.0 cm3 |
| index of refraction : | 1.480 ± 0.03 |
| surface tension : | 32.6 ± 5.0 dyne/cm |
| density : | 1.00 ± 0.1 g/cm3 |
| polarizability : | 21.94 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| fda reg : | unspecified |
h. number : | 2915.39.4550 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | balsam woody fresh pine needle sweet |
| substantivity : | 24 Hour(s) |
| properties : | |
| appearence : | colorless or white clear liquid to crystals |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97800 - 0.98400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.138 to 8.188
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| refractive index : | 1.46200 - 1.46600 @ 20.00 °C.
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| optical rotation : | -35.50 to -39.00
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| melting point : | 27.00 °C. @ 760.00 mm Hg
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| boiling point : | 103.00 °C. @ 14.00 mm Hg
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| boiling point : | 223.00 - 224.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.60 |
| 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. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 184.00 °F. TCC ( 84.44 °C. )
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| recommendation for laevo-bornyl acetate usage levels up to : |
| | 12.0000 % in the fragrance concentrate.
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| publication number : 22. |
| 4080 | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 50.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 5.00000 | 25.00000 |
| cheese : | 7.00000 | 35.00000 |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | 10.00000 | 50.00000 |
| egg products : | - | - |
| fats / oils : | 5.00000 | 25.00000 |
| fish products : | 2.00000 | 10.00000 |
| frozen dairy : | 7.00000 | 35.00000 |
| fruit ices : | 10.00000 | 50.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 20.00000 | 100.00000 |
| imitation dairy : | 7.00000 | 35.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 5.00000 | 25.00000 |
| milk products : | 7.00000 | 35.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | 2.00000 | 10.00000 |
| processed fruits : | 7.00000 | 35.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 25.00000 |
| snack foods : | - | - |
| soft candy : | 20.00000 | 100.00000 |
| soups : | 5.00000 | 25.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 5.00000 | 25.00000 |
| safety links : | |
| msds : | msds |
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| (EINECS) number : | 227-101-4 |
| chemidplus : | 005655618 |
| epa-srs : | 5655-61-8 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 005655618 |
| NIST Chemistry WebBook : | 3070032602 |
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