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| InChI : | InChI=1/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15+/m0/s1 |
| InChIKey : | VOBBUADSYROGAT-XUPBQHKHBN |
| SMILES : | CC(C)[C@@H]1CC[C@]2([C@H]3[C@@H]1[C@@H](C2=C)CC3)C |
| cas number : | 3650-28-0 |
| beilstein number : | 6566323 |
| molar refractivity : | 64.80 ± 0.4 cm3 |
| parachor : | 513.8 ± 6.0 cm3 |
| index of refraction : | 1.505 ± 0.03 |
| surface tension : | 30.6 ± 5.0 dyne/cm |
| density : | 0.93 ± 0.1 g/cm3 |
| polarizability : | 25.69 ± 0.5 10-24cm3 |
| XlogP : | 4.70 |
| molecular weight : | 204.3510600 (IUPAC) |
| formula : | C15 H24 |
| pherobase : | view |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| boiling point : | 255.00 to 257.00 °C. @ 760.00 mm Hg
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| flash point : | 221.00 °F. TCC ( 105.00 °C. )
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| logP (o/w) : | 6.17 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. |
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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| WGK Germany : | 3 |
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| chemidplus : | 3650-28-0 |
| EPA Substance Registry Services : | 3650-28-0 |
references :
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| pubchem : | 3650-28-0 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |