Endpoint Details

Partition Coefficient
CAS Number :	110-88-3
Sponsored Chemical Name :	1,3,5-Trioxane
Test Substance - Partition Coefficient
Test Substance:	(110-88-3) 1,3,5-Trioxane
Test Substance Purity/Composition and Other Test Substance Comments:
Test Substance Result Type:
Results - Partition Coefficient
Partition Coefficient Value/Range (Log K_ow):	= -.47 @ Temperature: 25 �C
Results Remarks:	All three concentration of test material gave similar partition coefficients, they were Po/w of 0.36, 0.32, and 0.34 for test material quantities of 55, 102, 551 mg, respectively. Log Ko/w was determined to be -0.47 using the shake-flask method. This result is supported by a literature value of -0.43 ' and by the the Log Kow v1.66 modeling program which estimates a value of -0.56 for Log Ko/w.
Study/Method - Partition Coefficient
Key Study Sponsor Indicator:
Year Study Performed:	1989
Method/Guideline Followed:	Other
Method/Guideline and Test Condition Remarks:	Shake flask. Replicates One replicate per test concentration Conentration 55, 102, 55 1 mg test material Volumes Water: 25 to 35 ml, n-Octanol: 25 ml Analysis Triplicate GC analysis of each phase of each replicate Variation From Current OECD Guideline This study used single replicates of three test material concentration in relatively fixed volumes of Octanol/water. The current (1995) OECD 107 guideline calls for duplicate runs at three solvent ratios and possibly test substance quantities. As the partition coefficient is near unity this deviation is considered to have minimal effect on the routine.
GLP:	No
Study Reference:	Reprint Of A Test Report "Determination of partition coefficient n-octanoliwater of 1,3,5-Trioxane by shake flask method." Analytical report Number 107243/01 Test period: May 1989 Reference for Supporting Studies 1. Hansch. C., A. Leo and D. Hoekman. 199.5. Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Professional Reference Book. Washington, DC: American Chemical Society as cites in Documentation for KOWIN estimation program version 4.00.5000, Syracuse Research Corporation, Syracuse, NY (April 2000) 2. Log Kow v1.66 as found in EPIWIN v3.05, Syracuse Research Corporation, Syracuse NY (April 2000).
Reliability/Data Quality - Partition Coefficient
Reliability:	Valid with Restrictions
Reliability Remarks:	Study design, conduct and reporting are considered reliable to address the test endpoint although it could not be established that the study was conducted in accord with GLP standards. Study design and reporting meets current EPA/OECD guidelines with minor exceptions.