Decanoic acid, mixed diesters with octanoic acid and 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

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was not conducted under GLP.

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

no

Type of method:

HPLC method

Specific details on test material used for the study:

The test material was of 99% purity. The Lot Number was 5060049. The test material was storedr at ambient temperature. There were no known impurities. There was no sign of test material instability under test conditions.

Key result

Type:

log Pow

Partition coefficient:

ca. 5.79

Temp.:

25 °C

pH:

ca. 7

Results and discussion

Triethylene Glycol-Dioctoate (Component 1) log Pow	5.09
Triethylene Glycol-octoate/Decanoate (Component 2) log Pow	5.79
Triethylene Glycol-Didecanoate (Component 3) log Pow	6.24
Pow values and their mean	1.23E+5-1.73E+6
Standard deviations of individual Pow values	0
Theoretical value when it has been calculated	N/A
Temperature of the test solutions	40°C
pH value(s) of the aqueous solution(s)	5.7
composition and concentration of buffers	None Used
Concentration of the stock solution	3012 mg/L
If testing is waived, the reason for waiving must be documented in the dossier	N/A

 

Triethylene Glycol-Dioctoate (Component 1):

Triethylene Glycol-Dioctoate Pow Calibration:
Run Number	Concentration (mg/L)	Retention Time (Initial)	Capacity Factor (k)	TEG-Di-C8 log10 k	TEG-Di-C8 log10 Pow
1	3012	15.309	8.250	0.916	5.08
2	3012	15.610	8.432	0.926	5.10
			TEG-Di-C8 log10 Pow Average =		5.09
			TEG Glycol-Di-C8 Pow Average =		1.23E+05

 

 

Triethylene Glycol-octoate/decanoate (Component 2):

Triethylene Glycol-mono-Octoate/Decanoate Pow Calibration:
Run Number	Concentration (mg/L)	Retention Time (Final)	Capacity Factor (k)	TEG-C8/C10 log10 k	TEG-C8/C10 log10 Pow
1	3012	25.322	14.300	1.155	5.79
2	3012	25.024	14.120	1.150	5.78
			TEG-C8/C10 log10 Pow Average =		5.79
			TEG Glycol-C8/C10 Pow Average =		6.11E+05

 

Triethylene Glycol-Didecanoate (Component 3):

Triethylene Glycol-Didecanoate Pow Calibration:
Run Number	Concentration (mg/L)	Retention Time (Final)	Capacity Factor (k)	TEG-Di-C10 log10 k	TEG-Di-C10 log10 Pow
1	3012	34.804	20.030	1.302	6.23
2	3012	34.995	20.145	1.304	6.24
			TEG-Di-C10 log10 Pow Average =		6.24
			TEG Glycol-Di-C10 Pow Average =		1.73E+06

 

Conclusions:

The logPow is 1.73E+06.

Description of key information

Esperimental partition coefficient data are available for the registration substance (log Pow = 5.79) and for four read-across chemicals. The read-across chemicals are included in the Glycol Esters Category submitted by the American Chemistry Council for the U.S. Environmental Protection Agency as a contribution to the U.S. EPA High Production Volume Chemical Program. All members of this category have similar molecular structure and functional groups. The functional groups in common are aliphatic ester groups and glycol ether groups. The glycol ether groups, joined together in one to four units, are end-capped with aliphatic acids via ester groups.  The read-across chemicals as well as the chemical to be registered all have strongly positive partition coefficients.

The KOWWIN module (v1.68) of the U.S. EPA EpiSuite program (Copyright 2000 -2012) was used to calculate a partition coefficient for the subject chemical. The value obtained bu this method was 6.7314 (LogKow) and is consistent with the values for the other similar read-across chemical.

Key value for chemical safety assessment

Log Kow (Log Pow):

5.79

at the temperature of:

40 °C