3,6,9-trioxaundecamethylene bis(2-ethylhexanoate)

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

October 2017

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Study not conducted following GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Specific details on test material used for the study:

Chemical Identity and Impurities: 3,6,9-trioxaundecamethylene bis(2-ethylhexanoate); Lot Number: 5058230 Impurities – No known impurities present. Purity of test sample is 95%. No evidence of chemical instability of the substance under test conditions. Test material was stored at ambient temperature.

Key result

Water solubility:

ca. 0.001 g/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

20 °C

pH:

ca. 7

 Results and discussion

 

watersolubilityin(g/L)at temperature(20°C)	0.00111
pH value and concentration of test substance	6.1
description of solubility (if relevant)	N/A
iftestingiswaived,thereasons for waivingmustbedocumentedinthedossier	N/A

 

3,6,9-trioxaundecamethylene bis(2-ethylhexanoate) Water Solubility Calibration:
Standard	Peak Area	Concentration (mg/kg)
A	235	0.630
B	352	0.920
C	442	1.160
D	303	0.810
E	526	1.410

 

3,6,9-trioxaundecamethylene bis(2-ethylhexanoate) Water Solubility Calibration:

Lot Number: 5058230

Day	Peak Area	TegMer 804 Water Solubility (mg/kg)	TegMer 804 Water Solubility (g/L)	pH
1	374	1.01	0.0010	6.1
2	423	1.14	0.0011	6.0
3	434	1.17	0.0012	6.1
		Average =	0.0011
		Standard Deviation =	0.00
		Difference Day 1-2, %	0.00%
		Difference Day 2-3, %	0.00%
		Results	Valid	15% Difference Max per OECD Method

 

Conclusions:

The water solubility of the test material was determined to be 0.0011 g/L

Description of key information

Water solubility data are available for the test material and for three read-across chemicals. These 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 water solubilities of the read-across chemicals and the chemical subject to this REACH registration are qualitatively described as of low water solubility.

The WATERNT module (v1.01) of the U.S. EPA EpiSuite program (Copyright 2000 -2012) was used to calculate a water solubility for the subject chemical. The value obtained bu this method was 0.871 mg/L and is consistent with the values for the similar read-across chemicals.

Key value for chemical safety assessment

Water solubility:

1.1 mg/L