Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2010-02-24 to 2010-02-26
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP Guideline Study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report Date:
2010

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
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): Alkenes, hydroformylation products, distn. residues
- Substance type: Pure Active Substance
- Physical state: liquid
- Storage condition of test material: Ambient condition in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
> 7.71
Temp.:
40 °C
pH:
ca. 6.5
Remarks on result:
other: extrapolated overall weighted average
Details on results:
The test substance eluted as 13 peaks on the UV detector and 26 peaks on the ELSD.
For details see below.

Any other information on results incl. tables

CALIBRATION:

Reference Standard Concentration (mg/L)  Retention Time (min) Capacity Factor(k) 1,2  log k 2  log Pow 3
Thiourea  100.0 1.808, 1.808  N/A  N/A  N/A
Acetanilide  100.0 2.188, 2.183  0.210, 0.207 -0.677, -0.683    1.0
2-Nitrophenol  100.0 2.834, 2.840  0.567, 0.571 -0.246, -0.244    1.8
Toluene  200.0 4.939, 4.937  1.73, 1.73 0.238, 0.238    2.7
Naphthalene  25.0 6.088, 6.104  2.37, 2.38 0.374, 0.376   3.6 
Fluoranthene  50.0 16.140, 16.168  7.93, 7.94 0.899, 0.900    5.1
DDT  500.0 33.302, 33.457  17.4, 17.6 1.24, 1.24    6.5
1Capacity factor (k) is the standard retention time minus the mean column dead time (1.808 minutes for thiourea) divided by the mean column dead time. 2Values obtained utilizing Microsoft Excel 2000 in full precision mode. Manual calculations may differ slightly. 3Log Pow values are based on literature values provided in OECD Guideline 117.

Correlation log k and Pow:

Slope: 0.3386

Axis intercept: -0.8629

Correlation coefficient: 0.9721

MEASUREMENTS:

Log POWbased on ELSD Data for the Test Substance
Sample Number
(527C-126-)
Offset adjusted Retention Time
Mean ± SD1
Offset Adjusted Log POW
Mean± SD1,2
Peak 1 64.077 ± 0.006 (> 7.09) ± 0.0001
Peak 2 64.992 ± 0.008 (> 7.11) ± 0.0002
Peak 3 65.398 ± 0.006 (> 7.12) ± 0.0001
Peak 4 66.099 ± 0.007 (> 7.13) ± 0.0001
Peak 5 66.908 ± 0.006 (> 7.15) ± 0.0001
Peak 6 67.213 ± 0.008 (> 7.15) ± 0.0002
Peak 7 67.689 ± 0.010 (> 7.16) ± 0.0002
Peak 8 68.519 ± 0.009 (> 7.18) ± 0.0002
Peak 9 69.534 ± 0.010 (> 7.20) ± 0.0002
Peak 10 69.887 ± 0.018 (>7.20) ± 0.0003
Peak 11 70.467 ± 0.016 (> 7.21) ± 0.0003
Peak 12 70.953 ± 0.014 (> 7.22) ± 0.0003
Peak 13 71.369 ± 0.015 (> 7.23) ± 0.0003
Peak 14 71.996 ± 0.015 (> 7.24) ± 0.0003
Peak 15 73.018 ± 0.017 (> 7.26) ± 0.0003
Peak 16 73.719 ± 0.010 (> 7.27) ± 0.0002
Peak 17 74.421 ± 0.042 (> 7.29) ± 0.0007
Peak 18 75.051 ± 0.031 (> 7.30) ± 0.0005
Peak 19 75.896 ± 0.018 (> 7.31) ± 0.0003
Peak 20 77.053 ± 0.018 (> 7.33) ± 0.0003
Peak 21 77.928 ± 0.003 (> 7.35) ± 0.00005
Peak 22 78.710 ± 0.029 (> 7.36) ± 0.0005
Peak 23 79.433 ± 0.200 (> 7.37) ± 0.003
Peak 24 80.532 ± 0.078 (> 7.39) ± 0.001
Peak 25 82.028 ± 0.027 (> 7.41) ± 0.0004
Peak 26 88.088 ± 0.032 (> 7.52) ± 0.0005
1Values obtained utilitzing Microsoft Excel 2000 in full precision mode
2Values in parenthesis are extrapolated values
Log POWbased on UV Data for the Test Substance
Sample Number
(527C-126-)
Offset adjusted Retention Time
Mean ± SD1
Offset Adjusted Log POW
Mean± SD1,2
Peak 1 6.582 ± 0.008 3.79 ± 0.002
Peak 2 72.164 ± 0.027 (> 7.25) ± 0.0005
Peak 3 76.048 ± 0.027 (> 7.31) ± 0.0005
Peak 4 80.830 ± 0.038 (> 7.39) ± 0.0005
Peak 5 91.009 ± 0.052 (> 7.55) ± 0.0008
Peak 6 91.881 ± 0.047 (> 7.56) ± 0.0007
Peak 7 93.017 ± 0.132 (> 7.58) ± 0.002
Peak 8 94.940 ± 0.033 (> 7.61) ± 0.0004
Peak 9 99.239 ± 0.057 (> 7.66) ± 0.0008
Peak 10 100.545 ± 0.046 (> 7.68) ± 0.0006
Peak 11 104.525 ± 0.080 (> 7.73) ± 0.001
Peak 12 109.596 ± 0.156 (> 7.79) ± 0.002
Peak 13 115.951 ± 0.153 (> 7.87) ± 0.002
1Values obtained utilitzing Microsoft Excel 2000 in full precision mode
2Values in parenthesis are extrapolated values

Applicant's summary and conclusion

Conclusions:
Under the chromatographic conditions specified, the test substance eluted as 13 peaks on the UV detector and 26 peaks on the ELSD. The corresponding Log Pow for the test substance by UV ranged from 3.79 to > 7.87 (extrapolated), with an extrapolated overall weighted average of > 7.71 +/- 0.001.
Executive summary:

The log Pow of Alkenes, C11 -12, hydroformylatenionproducts, distn. residues was determined according to OECD Guideline 117.

The test substance eluted as 13 peaks on the UV detector and 26 peaks on the ELSD. The corresponding Log Pow for the test substance by UV ranged from 3.79 to > 7.87 (extrapolated), with an extrapolated overall weighted average of > 7.71 +/- 0.001.