2-tert-butyl-1,4-dimethoxybenzene

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2019-01-23 to 2019-01-29

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

OECD Guideline for the Testing of Chemicals – 105 Water solubility (Adopted by the Council on 27th July 1995)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Specific details on test material used for the study:

Test Item Name: Vetimoss
Laboratory Master Schedule No. at FumoPrep Ltd.: 4488
Chemical Name: 2-tert-butyl-1,4-dimethoxybenzene
Batch/Lot Number: A180118C
CAS Number: 21112-37-8
Appearance: Clear, pale yellow liquid
Expiry Date: 06 June 2019
Purity: 98 %
Storage: Protected from humidity (tight closed container) and under inert gas

Key result

Water solubility:

19.17 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

125 mg/L

Incubation duration:

72 h

Temp.:

20 °C

pH:

ca. 4.95 - ca. 4.98

Remarks on result:

other: Loading rates of 10 - 150 mg/L

Details on results:

The difference between the 24 and 48 hours samples were out of the 15% limit but between the 48 and 72 hours were less than 15%. The 48 and 72 hours results were averaged to calculate the solubility. The solubility is given as mean ± SD. The water solubility of the test item is 19.17 ± 0.73 mg/L at 20 ± 0.5°C.

Summary of the calibrations

				Accuracy (%)
Analytical occasion	A	B	R^2	At LOQ	Above LOQ
28 Jan 2019	7.7504	0.0413	0.9995	85.6	98.6 -102.8

Results of the solubility measurements

Sample	cTS	cAverage	Difference between days	Solubility	SD	pH
	(mg/L)	(mg/L)	(%)	(mg/L)	(mg/L)
TS24h-1	23.48	23.22	N/A	-	-	4.98
TS24h-2	23.28
TS24h-3	23.58
TS24h-4	22.89
TS24h-5	22.88
TS48h-1	18.88	18.55	25.2	19.17	0.73	4.97
TS48h-2	18.60
TS48h-3	18.32
TS48h-4	18.20
TS48h-5	18.73
TS72h-1	19.68	19.79	6.7			4.95
TS72h-2	19.26
TS72h-3	19.77
TS72h-4	19.91
TS72h-5	20.35

Min – max temperatures during the experiment

Date	Tmin (ºC)	Tmax (°C)
24 Jan 2019	29.97
25 Jan 2019	29.88	29.98
26 Jan 2019	29.89	29.99
27 Jan 2019	29.98
28 Jan 2019	19.89	20.01

Results of the Method Validation

Specificity: Interfering components conform to less than 20% of the LOQ criteria

Repeatability (7 injections): 0.89 %

Dynamic range: 0.01 – 0.15 mg/mL

Limit of Quantification: 0.01 mg/mL in calibration solution, 0.21 mg/L in test solution (47.5x enrichment)

Recovery and Precision

Concentration (mg/L): 2xLOQ / 20

Recovery (%) in HPLC water 94.9 / 96.8

Precision (%) in HPLC water 3.2 / 3.9

Stability

Stability of analytical sample in autosampler for 53 h 50 min: 100.1 %

The validated analytical method (FPBSTUDY-191-VAL2-REPORT-01; Citoxlab study code: 17/183-920AN) was used for the determination of the test item content in aqueous solutions.

Conclusions:

The water solubility of the test item is 19.17 ± 0.73 mg/L at 20 ± 0.5°C.

Executive summary:

The water solubility of Vetimoss was determined using the column eluation method according to the OECD 105 guideline. The water solubility of Vetimoss was reported to be 19.17 mg/L at 20°C.

Description of key information

The water solubility of Vetimoss was determined using the column eluation method according to the OECD 105 guideline. The water solubility of Vetimoss was reported to be 19.17 mg/L at 20°C.

Key value for chemical safety assessment

Water solubility:

19.17 mg/L

at the temperature of:

20 °C