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| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
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| InChI : | InChI=1/C15H26O/c1-9-7-8-15(16)10(2)5-6-11-13(12(9)15)14(11,3)4/h9-13,16H,5-8H2,1-4H3 |
| InChIKey : | QWRTXOOFEHOROQ-UHFFFAOYAB |
| SMILES : | CC1CCC2(C1C3C(C3(C)C)CCC2C)O |
| cas number : | 5986-49-2 |
| molar refractivity : | 67.06 ± 0.3 cm3 |
| parachor : | 549.4 ± 4.0 cm3 |
| index of refraction : | 1.501 ± 0.02 |
| surface tension : | 34.1 ± 3.0 dyne/cm |
| density : | 0.978 ± 0.06 g/cm3 |
| polarizability : | 26.58 ± 0.5 10-24cm3 |
| XlogP : | 4.70 |
| molecular weight : | 222.3663400 (IUPAC) |
| formula : | C15 H26 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 293.00 to 294.00 °C. @ 760.00 mm Hg
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| flash point : | 253.00 °F. TCC ( 122.78 °C. )
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| logP (o/w) : | 4.75 |
safety :
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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safety references :
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| EPI System : | view |
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| chemidplus : | 005986492 |
| EPA Substance Registry Services : | 5986-49-2 |
references :
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| NIST Chemistry WebBook : | 196732345 |
| pubchem : | 688017 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |