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| IUPAC name : | 4-methyl-1-propan-2-yl-7,8-dioxabicyclo[2.2.2]oct-2-ene |
| InChI : | InChI=1/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3 |
| InChIKey : | MGYMHQJELJYRQS-UHFFFAOYAE |
| SMILES : | CC(C)C12CCC(C=C1)(OO2)C |
| (EINECS) number : | 208-147-4 |
| cas number : | 512-85-6 |
| molar refractivity : | 46.91 ± 0.3 cm3 |
| parachor : | 390.2 ± 6.0 cm3 |
| index of refraction : | 1.498 ± 0.02 |
| surface tension : | 35.4 ± 3.0 dyne/cm |
| density : | 1.051 ± 0.06 g/cm3 |
| polarizability : | 18.59 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 168.2328400 |
| formula : | C10 H16 O2 |
| BioActivity Analysis : | 476816 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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properties :
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| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 2.00 - 4.00 °C. @ 760.00 mm Hg
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| boiling point : | 112.00 - 115.00 °C. @ 20.00 mm Hg
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| boiling point : | 96.00 - 97.00 °C. @ 8.00 mm Hg
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| logp : | 3.57 |
safety :
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| Oral Toxicity(LD50) : |
Oral-Rat 200.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 133.00 °F. TCC ( 56.11 °C. )
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| recommendation for ascaridole usage levels up to : | | | not for fragrance use.
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safety links :
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| (EINECS) number : | 208-147-4 |
| chemidplus : | 000512856 |
| epa-srs : | 512-85-6 |
| dtp/nci : | 406924 |
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| EPI System : | Click here |
other :
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references :
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| pubchem : | 153831 |
| NIST Chemistry WebBook : | 3352354185 |
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