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| IUPAC name : | 4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate |
| InChI : | InChI=1/C14H22O2/c1-10(2)14-7-5-13(3,6-8-14)11(9-14)12(15)16-4/h5,7,10-11H,6,8-9H2,1-4H3 |
| InChIKey : | NXAJZPARDMDLKH-UHFFFAOYAP |
| SMILES : | CC(C)C12CCC(C=C1)(C(C2)C(=O)OC)C |
| (EINECS) number : | 273-453-7 |
| cas number : | 68966-86-9 |
| molar refractivity : | 63.87 ± 0.3 cm3 |
| parachor : | 533.3 ± 6.0 cm3 |
| index of refraction : | 1.504 ± 0.02 |
| surface tension : | 37.5 ± 3.0 dyne/cm |
| density : | 1.031 ± 0.06 g/cm3 |
| polarizability : | 25.32 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 222.3232800 |
| formula : | C14 H22 O2 |
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| IUPAC name : | methyl 4-isopropyl-1-methylbicyclo(2.2.2)oct-5-ene-2-carboxylate |
| InChI : | InChI=1/C14H22O2/c1-10(2)14-7-5-13(3,6-8-14)11(9-14)12(15)16-4/h5,7,10-11H,6,8-9H2,1-4H3 |
| InChIKey : | NXAJZPARDMDLKH-UHFFFAOYAP |
| SMILES : | O=C(OC)[C@@H]1[C@@]2(C=C[C@@](CC2)(C(C)C)C1)C |
| (EINECS) number : | 266-678-7 |
| cas number : | 67392-15-8 |
| molar refractivity : | 63.87 ± 0.3 cm3 |
| parachor : | 533.3 ± 6.0 cm3 |
| index of refraction : | 1.504 ± 0.02 |
| surface tension : | 37.5 ± 3.0 dyne/cm |
| density : | 1.031 ± 0.06 g/cm3 |
| polarizability : | 25.32 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 222.3232800 |
| formula : | C14 H22 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | woody |
| odor strength : | medium |
odor description¹ : at 100.00 %. | woody dry clean mahogany dank sawdust |
| substantivity : | 73 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99500 - 1.00000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.279 to 8.321
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| refractive index : | 1.47700 - 1.48600 @ 20.00 °C.
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| boiling point : | 261.00 - 262.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.14 |
| shelf life : | 36.00 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. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for woody carboxylate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for woody carboxylate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 273-453-7 |
| chemidplus : | 068966869 |
| epa-srs : | 68966-86-9 |
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| (EINECS) number : | 266-678-7 |
| chemidplus : | 067392158 |
| epa-srs : | 67392-15-8 |
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| other : | |
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C of A  
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| references : | |
| pubchem : | 688765 |
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| pubchem : | 683936 |
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| reference : | Luebke, William tgsc, (2006)¹ |