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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | [(1S,2R,3R)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate |
| InChI : | InChI=1/C12H20O2/c1-8(2)11-6-7-12(5,9(11)3)14-10(4)13/h9,11H,1,6-7H2,2-5H3/t9-,11+,12+/m1/s1 |
| InChIKey : | NKWCOKZUKIEZAR-USWWRNFRBA |
| SMILES : | C[C@@H]1[C@@H](CC[C@]1(C)OC(=O)C)C(=C)C |
| cas number : | 94346-09-5 |
| molar refractivity : | 56.91 ± 0.4 cm3 |
| parachor : | 484.2 ± 6.0 cm3 |
| index of refraction : | 1.458 ± 0.03 |
| surface tension : | 29.2 ± 5.0 dyne/cm |
| density : | 0.94 ± 0.1 g/cm3 |
| polarizability : | 22.56 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | warm herbal clary woody |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 93.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94500 - 0.96500 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.873 to 8.039
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| refractive index : | 1.45100 - 1.47100 @ 20.00 °C.
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| boiling point : | 229.00 - 230.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.84 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 195.00 °F. TCC ( 90.56 °C. )
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| recommendation for clary acetate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for clary acetate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| chemidplus : | 094346095 |
| epa-srs : | 94346-09-5 |
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| other : | |
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| references : | |
| pubchem : | 3889206 |
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