Tall oil pitch, reaction product with triethylene glycol

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017-10-11 to 2017-10-11

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Well documented guideline study with GLP and no deviations.

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Version / remarks:

OECD Guideline No. 117 for Testing Chemicals (2004)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Deviations:

no

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Test Item: Tall oil pitch, reaction product with triethylene glycol
Batch No.: LABO 16-02
CAS No.: 2135769-54-7
Purity: 100% (UVCB substance)
Appearance: Viscous (liquid), brown to black
Stability under test conditions: Not specified
Expiry date: 2018-11-14

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

> 4.74 - < 7.95

Temp.:

22.1 °C

Remarks on result:

other: pH not determined

Details on results:

The first test item signal reported a log Pow value that was less than the nitrate ion. For the remaining 4 test item signals two individual log Powvalues were derived under consideration of the first and second calibration and a mean value was calculated from these individual log Pow values. The log Pow of signals 3-5 were higher than the retention time of 4,4'-DDT. The log Pow of the teast item Tall oil pitch, reaction product with triethylene glycol.was determined to be 4.74-7.95 at 22.1 °C.

Table 3. Calibration data of the Reference Items

		1^stcalibration			2^ndcalibration
Reference Item	Log Pow	T­R1[min]	k	logk	T­R2[min]	k	logk
2-Butanone	0.3	1.114	1.13	0.0531	1.068	1.04	0.0179
Benzonitrile	1.6	1.429	1.73	0.239	1.363	1.61	0.206
Nitrobenzene	1.9	1.589	2.04	0.309	1.525	1.92	0.282
Toluene	2.7	2.474	3.73	0.572	2.382	3.55	0.551
Isopropylbenzene	3.7	3.887	6.43	0.808	3.730	6.13	0.788
n-Butylbenzene	4.6	5.940	10.4	1.02	5.713	9.92	0.997
Fluoranthene	5.1	7.045	12.5	1.10	6.811	12.0	1.08
4,4’-DDT	6.5	11.566	21.1	1.32	11.861	21.7	1.34

 T_­R1 Retention time 1. injection

 T_­R2 Rentention time 2. injection

k Capacity factor reference item

Table 4. Slope, y intercept and correlation coefficient of the regression line.

	1^stCalibration	2^ndCalibration
Slope	4.476	4.354
Y-Intercept	0.2667	0.4359
r^2	0.9868	0.9897
r	0.9934	0.9948

Table 5. Average retention times for Tall oil pitch, reaction product with triethylene glycol.

	1^stcalibration			log Pow
Signal number	T­R1[min]	k	logk
2	5.669	9.84	0.993	4.74
3	17.311	32.1	1.51	7.02
4	19.169	35.7	1.55	7.20
5	27.682	51.9	1.72	7.95

 

Conclusions:

The log Pow of the teast item Tall oil pitch, reaction product with triethylene glycol.was determined to be 4.74-7.95 at 22.1 °C.

Executive summary:

The partition coefficient of Tall oil pitch, reaction product with triethylene glycol was determined using HPLC and according to OECD guideline 117. The log Pow of the teast item Tall oil pitch, reaction product with triethylene glycol was determined to be 4.74-7.95 at 22.1 °C.

Description of key information

The partition coefficient of Tall oil pitch, reaction product with triethylene glycol was determined using HPLC and according to OECD guideline 117. The log Pow of the teast item Tall oil pitch, reaction product with triethylene glycol was determined to be 4.74-7.95 at 22.1 °C.