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| IUPAC name : | 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one |
| InChI : | InChI=1/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3 |
| InChIKey : | LHXDLQBQYFFVNW-UHFFFAOYAX |
| SMILES : | CC1(C2CCC(C2)(C1=O)C)C |
| (EINECS) number : | 214-804-6 |
| cas number : | 1195-79-5 |
| beilstein number : | 1861492 |
| fema number : | 2479 |
| coe number : | 551 |
| fl. number : | 07.037 |
| molar refractivity : | 44.39 ± 0.3 cm3 |
| parachor : | 367.1 ± 6.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 31.5 ± 3.0 dyne/cm |
| density : | 0.982 ± 0.06 g/cm3 |
| polarizability : | 17.59 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 152.2334400 |
| formula : | C10 H16 O |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| properties : | |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 5.00 - 6.00 °C. @ 760.00 mm Hg
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| boiling point : | 193.00 - 194.00 °C. @ 760.00 mm Hg
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| boiling point : | 104.00 - 105.00 °C. @ 50.00 mm Hg
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| logp : | 3.04 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 140.00 °F. TCC ( 60.00 °C. )
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| safety links : | |
| (EINECS) number : | 214-804-6 |
| chemidplus : | 000126216 |
| epa-srs : | 1195-79-5 |
| dtp/nci : | 8896 |
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| other : | |
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| references : | |
| fl. number : | 07.037 |
| pubchem : | 173407 |
| NIST Chemistry WebBook : | 117268008 |
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