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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-6-yl acetate |
| InChI : | InChI=1/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3 |
| InChIKey : | RGVQNSFGUOIKFF-UHFFFAOYAP |
| SMILES : | CC(=O)OC1CC2CC1C3C2C=CC3 |
| (EINECS) number : | 226-501-6 |
| cas number : | 5413-60-5 |
| beilstein number : | 1949487 |
| molar refractivity : | 53.13 ± 0.4 cm3 |
| parachor : | 425.0 ± 6.0 cm3 |
| index of refraction : | 1.536 ± 0.03 |
| surface tension : | 38.8 ± 5.0 dyne/cm |
| density : | 1.12 ± 0.1 g/cm3 |
| polarizability : | 21.06 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 192.2542400 |
| formula : | C12 H16 O2 |
| BioActivity Analysis : | 72563 |
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| IUPAC name : | 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl acetate |
| InChI : | InChI=1/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3 |
| InChIKey : | BJLRAKFWOUAROE-UHFFFAOYAP |
| SMILES : | CC(=O)OC1CC2CC1C3C2CC=C3 |
| (EINECS) number : | 219-700-4 |
| cas number : | 2500-83-6 |
| molar refractivity : | 53.13 ± 0.4 cm3 |
| parachor : | 425.0 ± 6.0 cm3 |
| index of refraction : | 1.536 ± 0.03 |
| surface tension : | 38.8 ± 5.0 dyne/cm |
| density : | 1.12 ± 0.1 g/cm3 |
| polarizability : | 21.06 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 192.2542400 |
| formula : | C12 H16 O2 |
| BioActivity Analysis : | 427576 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | floral green soapy cedar pine woody |
| substantivity : | 100 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.07000 - 1.08000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.903 to 8.987
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| refractive index : | 1.49300 - 1.49700 @ 20.00 °C.
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.58 |
| 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) : |
None - None |
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| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for tricyclodecenyl acetate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for tricyclodecenyl acetate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 226-501-6 |
| chemidplus : | 005413605 |
| epa-srs : | 5413-60-5 |
| dtp/nci : | 6598 |
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| (EINECS) number : | 219-700-4 |
| chemidplus : | 002500836 |
| epa-srs : | 2500-83-6 |
| dtp/nci : | 142428 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 687923 |
| NIST Chemistry WebBook : | 64775938 |
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| pubchem : | 675767 |
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