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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental start date 14 March 2018. Experimental completion date 21 June 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
column elution method
Key result
Water solubility:
0.15 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
7

Results and discussion

The detector calibration was found to be linear over the range 0 to 6 mg/L with a regression coefficient of 1.0000 (Table 1, Figure 1).

Table 2 presents a summary of the results of the test. It shows a measured solubility of 0.15 ± 0.02 mg/L, while Table 3 presents the primary data for the test.

An acceptable mean recovery of approximately 97% of Dihexyl Fumarate (EC 242-833-4) from fortified samples was achieved. Table 4 shows the recovery data.

Table 1       Standard calibration for Dihexyl Fumarate (EC 242-833-4)

Standard concentration (mg/L) Peak area
5.693 1143.8
4.554 912.97
3.416 686.7
2.277 458.04
1.139 228.46
0.5693 115.7
0.1139 22.375
0.05693 11.02
0.02846 5.5611

Linear regression:       y = 201x + 0.0656                  

(including x = 0, y = 0)       r = 1.0000

x = concentration

y = peak area

Table 2       Measurement of water solubility at 20°C

Sample number Time (days) Concentration (mg/L) Mean concentration (mg/L) pH
1A, 1B 1 0.164, 0.151 0.157 7.0, 6.8
2A, 2B 2 0.149, 0.123 0.136 7.0, 6.9
3A, 3B 3 0.199, 0.0659 0.133 7.0, 7.0

Water solubility* = 0.147 ± 0.017 mg/L (RSD = 12%)

*Determined as the mean result of Day 1 and 2 samples due to the variability observed on Day 3

Table 3              HPLC Analysis of Samples from the Water Solubility Test for Dihexyl Fumarate (EC 242-833-4)

Sample Peak area CA(mg/L) Dilution factor CB(mg/L)
0.05693 mg/L std 10.852 - - -
Sample 3A 19.302 0.09966 2 0.1993
Sample 3B 6.3826 0.03295 2 0.06591
Sample 2A 14.459 0.07466 2 0.1493
Sample 2B 11.925 0.06157 2 0.1231
0.05693 mg/L std 11.2 - - -
Sample 1A 15.838 0.08198 2 0.164
Sample 1B 14.571 0.07542 2 0.1508
0.05693 mg/L std 10.797 - - -

Table 4              Recovery of Dihexyl Fumarate (EC 242-833-4) from Fortified Control Samples

Sample Peak area Measured concentration (mg/L) Intended concentration (mg/L) Recovery (%)
0.05398 mg/L std 10.61 - - -
Spike A 10.03 0.1022 0.108 95
Spike B 10.171 0.1037 0.108 96
Spike C 10.11 0.1031 0.108 95
0.05398 mg/L std 10.571 - - -
Spike D 10.239 0.1082 0.108 100
Spike E 10.202 0.1078 0.108 100
0.05398 mg/L std 9.8643 - - -

Mean recovery = 97%

Conclusions:
The water solubility of Dihexyl Fumarate (EC 242-833-4) was determined to be 0.15 mg/L at 20°C.

Description of key information

The water solubility of Dihexyl Fumarate (EC 242-833-4) was determined to be 0.15 mg/L at 20°C.

Key value for chemical safety assessment

Water solubility:
0.15 mg/L
at the temperature of:
20 °C

Additional information