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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (1R,5R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one |
| InChI : | InChI=1/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1 |
| InChIKey : | DCSCXTJOXBUFGB-SFYZADRCBG |
| SMILES : | CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C |
| (EINECS) number : | 201-292-4 |
| cas number : | 80-57-9 |
| fema number : | 4216 |
| coe number : | 11186 |
| jecfa number : | 1870 |
| fl. number : | 07.196 |
| molar refractivity : | 44.09 ± 0.3 cm3 |
| parachor : | 352.7 ± 6.0 cm3 |
| index of refraction : | 1.494 ± 0.02 |
| surface tension : | 29.4 ± 3.0 dyne/cm |
| density : | 0.992 ± 0.06 g/cm3 |
| polarizability : | 17.48 ± 0.5 10-24cm3 |
| xlogp : | 1.80 |
| molecular weight : | 150.2175600 |
| formula : | C10 H14 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | camphoreous |
| odor strength : | medium |
odor description :
at 100.00 %. | camphor menthol celery |
| properties : | |
| appearence : | colorless to yellow clear viscous liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97400 @ 17.00 °C.
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| refractive index : | 1.49950 @ 25.00 °C.
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| melting point : | 43.70 °C. @ 0.00 mm Hg
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| boiling point : | 103.00 - 104.00 °C. @ 16.00 mm Hg
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| boiling point : | 89.00 - 90.00 °C. @ 12.00 mm Hg
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| logp : | 1.97 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 185.00 °F. TCC ( 85.00 °C. )
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| recommendation for verbenone usage levels up to : |
| | 8.0000 % 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. |
| 4216 | average usual ppm | average maximum ppm |
| baked goods : | 5.00000 | 25.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 2.00000 | 10.00000 |
| cheese : | 3.00000 | 15.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 2.00000 | 10.00000 |
| confectionery froastings : | 4.00000 | 20.00000 |
| egg products : | - | - |
| fats / oils : | 2.00000 | 10.00000 |
| fish products : | 1.00000 | 5.00000 |
| frozen dairy : | 3.00000 | 15.00000 |
| fruit ices : | 3.00000 | 15.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 5.00000 | 25.00000 |
| imitation dairy : | 3.00000 | 15.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 1.00000 | 5.00000 |
| milk products : | 3.00000 | 15.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | 1.00000 | 5.00000 |
| processed fruits : | 2.00000 | 10.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 2.00000 | 10.00000 |
| snack foods : | - | - |
| soft candy : | 5.00000 | 25.00000 |
| soups : | 2.00000 | 10.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 2.00000 | 10.00000 |
| safety links : | |
| (EINECS) number : | 201-292-4 |
| chemidplus : | 000080579 |
| epa-srs : | 80-57-9 |
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| other : | |
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| references : | |
| jecfa number : | 1870 |
| fl. number : | 07.196 |
| pubchem : | 207756 |
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