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| IUPAC Name: | 4-octylphenol |
| Description: | 4-Octylphenol (CAS# 1806-26-4) is a contaminant of emerging concern (CECs). |
| Molecular Weight: | 206.32 |
| Molecular Formula: | C14H22O |
| Canonical SMILES: | CCCCCCCCC1=CC=C(C=C1)O |
| InChI: | InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3 |
| InChI Key: | NTDQQZYCCIDJRK-UHFFFAOYSA-N |
| Boiling Point: | 150 ℃ |
| Melting Point: | 41 ℃ |
| Flash Point: | 113 °C |
| Purity: | 95 % |
| Density: | 0.961 g/mL at 25℃(lit.) |
| Solubility: | Solubility in water: none |
| Appearance: | White to off-white solid |
| Decomposition: | Heat is said to decompose /octyl phenols..With the release of dangerous fumes of phenol. /octyl phenols/ |
| MDL: | MFCD00036134 |
| LogP: | 4.29520 |
| Vapor Pressure: | 0.000098 [mmHg] |
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