Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From June to July 2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study (OECD, EPA, etc)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report Date:
2011

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
according to
Guideline:
other: TSCA Title 40 of the Federal Code of Regulations, Part 796, Section 1570: Partition Coefficient (n- Octanol/Water).
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): XP-7866
- Physical state: solid
- Analytical purity: 99.5% certificate of analyses provided in the complete study report
- Purity test date: 99.5%
- Lot/batch No.: 10188-1 JM
- Expiration date of the lot/batch: February 28, 2015
- Storage condition of test material: Stored under ambient conditions in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.36
pH:
6.5
Details on results:
- An injection of a reagent blank solution (75% MeOH: 25% H2O (v/v)) showed that the reagents used for preparation of the combined reference standard solution and XP-7866 solutions were free of any potentially interfering contaminants.
- Mean retention time of thiourea was 1.820 minutes. (= dead time (t0)).
- Three 5.00-mg/L XP-7866 solutions were sequentially injected. XP-7866 eluted as one peak with a mean retention time of 3.433 minutes.
The capacity factor (k) of the XP-7866 peak was then calculated based on the retention time. The mean n-octanol/water partition coefficient (log POW) for
XP-7866 was calculated as 2.36.

Any other information on results incl. tables

Reference Standards Retention time, Capacity factors and log Pow values:

 Reference standard  Concentration (mg/L)  Retention time (minutes)  Capacity factor (k)  log k  log Pow
 Thiourea 10.0 1.820/1.819  N/A N/A   N/A
 Acetanilide 20.0 2.239/2.238 0.231/0.230  -0.637/-0.638 1.0
 2 -Nitrophenol 10.0  2.900/2.898 0.594/0.593 -0.226/-0.227 1.8
Toluene 50.0 4.892/4.887  1.69/1.69  0.228/0.227  2.7 
Naphthalene  5.00  6.017/6.009  2.31/2.30  0.363/0.362  3.6 
Fluoranthene  5.00 15.701/15.604  7.63/7.58  0.882/0.879  5.1 
DDT  50.0  31.827/31.624  16.5/16.4  1.22/1.21  6.5 

Log noctanol/water Partition Coefficients (log Pow) based on UV data for the test item:

 Sample Number  Ret. Time (min)  Mean (X) & stand. deviation (SD)  Capacity factor (k) Mean (X) & stand. deviation SD  Log k  Pow  LogPow  Mean (X) & SD 
 1  3.436  X= 3.433  0.888  X = 0.887  -0.0514  232 2.37
X = 2.36
 2  3.427  SD = 0.005  0.883  SD = 0.003  -0.0538  228 2.36 SD = 0.004 
 3  3.435    0.888    -0.0516  231 2.36  

Applicant's summary and conclusion

Conclusions:
Under the chromatographic conditions specified, the test item (6H-Dibenz [c,e] [1,2] oxaphosphorin, 6,6'( 1 ,2-ethanediyl) bis-6,6'-dioxide) eluted as one peak. The mean n-octanol/water partition coefficient (log POW) for this substance was 2.36 ± 0.004 log units (N = 3, CV = 0.17%).