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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate |
| InChI : | InChI=1/C11H18O2/c1-11(2)6-7-4-8(9(11)5-7)10(12)13-3/h7-9H,4-6H2,1-3H3 |
| InChIKey : | ZVLGEOXMDTXXEI-UHFFFAOYAF |
| SMILES : | CC1(CC2CC(C1C2)C(=O)OC)C |
| (EINECS) number : | 258-005-0 |
| cas number : | 52557-97-8 |
| molar refractivity : | 50.60 ± 0.3 cm3 |
| parachor : | 427.2 ± 6.0 cm3 |
| index of refraction : | 1.470 ± 0.02 |
| surface tension : | 30.8 ± 3.0 dyne/cm |
| density : | 1.005 ± 0.06 g/cm3 |
| polarizability : | 20.06 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 182.2594200 |
| formula : | C11 H18 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | natural pine fir green fruity woody |
| substantivity : | 28 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.01100 @ 25.00 °C.
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| boiling point : | 80.00 °C. @ 3.00 mm Hg
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| logp : | 3.12 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 201.00 °F. TCC ( 93.89 °C. )
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| recommendation for fir carboxylate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for fir carboxylate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 258-005-0 |
| chemidplus : | 052557978 |
| epa-srs : | 52557-97-8 |
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| other : | |
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| references : | |
| pubchem : | 681112 |
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