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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one |
| InChI : | InChI=1/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3 |
| InChIKey : | LHXDLQBQYFFVNW-UHFFFAOYAX |
| SMILES : | CC1(C2CCC(C2)(C1=O)C)C |
| (EINECS) number : | 225-160-0 |
| cas number : | 4695-62-9 |
| beilstein number : | 2206555 |
| fema number : | 2479 |
| coe number : | 551 |
| jecfa number : | 1396 |
| fl. number : | 07.159 |
| molar refractivity : | 44.39 ± 0.3 cm3 |
| parachor : | 367.1 ± 6.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 31.5 ± 3.0 dyne/cm |
| density : | 0.982 ± 0.06 g/cm3 |
| polarizability : | 17.59 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 152.2334400 |
| formula : | C10 H16 O |
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| fda reg : | 172.515 |
h. number : | 2914.29.0000 |
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| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | camphor thuja cedarleaf herbal earthy woody |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94000 - 0.94800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.822 to 7.888
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| refractive index : | 1.45800 - 1.46200 @ 20.00 °C.
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| optical rotation : | -35.00 to -50.00
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| melting point : | 6.00 - 7.00 °C. @ 760.00 mm Hg
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| boiling point : | 193.00 °C. @ 760.00 mm Hg
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| logp : | 2.13 |
| 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) : |
Oral-Rat 6160.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 145.00 °F. TCC ( 62.78 °C. )
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| recommendation for dextro-fenchone usage levels up to : |
| | 9.0000 % in the fragrance concentrate.
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| recommendation for dextro-fenchone usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 225-160-0 |
| rtecs : | RB7875200 for 4695-62-9 |
| chemidplus : | 004695629 |
| epa-srs : | 4695-62-9 |
| dtp/nci : | 122687 |
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| other : | |
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| references : | |
| jecfa number : | 1396 |
| fl. number : | 07.159 |
| pubchem : | 163615 |
| NIST Chemistry WebBook : | 2846273094 |
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