Determination of 1‐octanol/water partition coefficients of isocyanate compounds by an HPLC method |
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| Authors: | Yoshikuni Yakabe Koichi Hiromatsu Kazumi Kawahara Michito Nakahara |
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| Institution: | 1. Chemicals Evaluation and Research Institute , 19–14 Chuo‐machi, Kurume‐shi, Fukuoka, 830–0023, Japan E-mail: yakabe‐yoshikuni@kurume.cerij.or.jp;2. Chemicals Evaluation and Research Institute , 19–14 Chuo‐machi, Kurume‐shi, Fukuoka, 830–0023, Japan;3. Asia Pacific Region Office , International lsocyanate Institute , I‐12–1 Nishi‐shinbashi, Minato‐ku, Tokyo, 105–0003, Japan |
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| Abstract: | The octanol/water partition coefficients (P ow) of six monoisocyanate and five diisocyanate compounds were determined by high performance liquid chromatograph (HPLC) methods. Two HPLC peaks, a broad tailed peak followed by a sharp one, were observed with all compounds. The later peak was identified as the isocyanate compound. The P ow value for each isocyanate compound was determined by fitting the capacity factor of the peak to the regression equation drawn from those of reference compounds. The hydrophobic substituent constants for the isocyanate group were calculated with each of the compounds. The value of this constant was strongly dependent on the type of carbon bound to the isocyanate group and the average values for the aromatic and aliphatic isocyanate groups were 0.35 and — 0.52, respectively. Because of the reactivity of those compounds in the aquatic environment, the P ow has little relevance to calculation of their environmental fate and ecotoxicity. |
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| Keywords: | Partition coefficient toluene diisocyanate OECD Test Guideline 117 substituent constant π‐value |
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