Alkenes, C11-12, hydroformylation products, distn. residues

Partition coefficient

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

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

Test material information

Constituent 1

Reference substance name:

Alkenes, C11-12, hydroformylation products, distn. residues

EC Number:

292-427-6

EC Name:

Alkenes, C11-12, hydroformylation products, distn. residues

Cas Number:

90622-27-8

Molecular formula:

not available; UVCB

IUPAC Name:

Alkenes, C11-12, hydroformylation products, distn. residues

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 ± SD^1	Offset Adjusted Log POW Mean± SD^1,2
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 ± SD^1	Offset Adjusted Log POW Mean± SD^1,2
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.