4,4'-isopropylidenedi-o-cresol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

03 - 09 Oct 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

March 2014

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

September 07, 1995

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

March 1998

GLP compliance:

yes (incl. QA statement)

Remarks:

National Good Laboratory Practice (GLP) Compliance Monitoring Authority (NGCMA), Department of Science and Technology, Government of India

Type of method:

flask method

Water solubility:

0.022 g/L

Temp.:

20 °C

pH:

7

Water solubility:

0.021 g/L

Temp.:

20 °C

pH:

5

Water solubility:

0.021 g/L

Temp.:

20 °C

pH:

9

Results of linearity check

The linearity of the method was established before analysing the sample. Five different concentrations of the test item reference standard solutions ranging from 5.05 to 40.02 mg/L were injected into HPLC in singlet. The peak area was plotted against concentration (mg/L). The correlation coefficient (r) was 0.999.

 

Accuracy (% Recovery) and Precision (% RSD)

The overall mean accuracy and the overall %RSD (based on three fortification level) were: 104.12 and 1.39 for pH-5 buffer solution, 104.98 and 0.43 for pH-7 buffer solution, 103.90 and 3.39 for pH-9 buffer solution.

 

Preliminary test results

Buffer Water

Weight (g) of Test Item

Solubility Observed in (mL of Buffer)

Approx. solubility (g/L)

Volume (mL) of buffer added

10

50

100

200

300

350

400

430

450

460

pH 5.0

0.01052

Solubility observed

N

N

N

N

N

N

N

N

Y

-

0.022

pH 7.0

0.01034

Solubility observed

N

N

N

N

N

N

N

N

N

Y

0.022

pH 9.0

0.01077

Solubility observed

N

N

N

N

N

N

N

N

N

Y

0.022

Y= yes, N= No

 

 

Water solubility results

The results of water solubility test for pH 5.0 buffer water are summarized in the following table:

Sample Agitation Time	pH	Replication	Peak Area of Sample	Intercept with Y-axis	Slope of the Line	Solubility (g/L)	Mean Solubility (g/L)
24 hours	5.00	I	379041	7230.40	17569.46	0.0212	0.0212
		II	378973			0.0212
48 hours	5.02	I	377555			0.0211	0.0211
		II	377171			0.0211
72 hours	5.02	I	377617			0.0211	0.0211
		II	377432			0.0211
Overall Mean							0.0211
Standard Deviation							0.0001

Temperature = 20 °C

Dilution Factor = 1

 

The results of water solubility test for pH 7.0 buffer water are summarized in the following table:

Sample Agitation Time	pH	Replication	Peak Area of Sample	Intercept with Y-axis	Slope of the Line	Solubility (g/L)	Mean Solubility (g/L)
24 hours	7.01	I	395760	7230.40	17569.46	0.0221	0.0221
		II	395371			0.0221
48 hours	7.02	I	392492			0.0219	0.0219
		II	392564			0.0219
72 hours	7.01	I	393748			0.0220	0.0220
		II	393617			0.0220
Overall Mean							0.0220
Standard Deviation							0.0001

Temperature = 20 °C

Dilution Factor = 1

 

The results of water solubility test for pH 9.0 buffer water are summarized in the following table:

Sample Agitation Time	pH	Replication	Peak Area of Sample	Intercept with Y-axis	Slope of the Line	Solubility (g/L)	Mean Solubility (g/L)
24 hours	9.01	I	364888	7230.40	17569.46	0.0204	0.0204
		II	365283			0.0204
48 hours	9.02	I	367199			0.0205	0.0205
		II	367140			0.0205
72 hours	9.00	I	368558			0.0206	0.0206
		II	368652			0.0206
Overall Mean							0.0205
Standard Deviation							0.0001

Description of key information

OECD guideline, GLP-compliant study available. Water solubility was determined using flask method. Water solubility was 0.022g/L at 20 °C.

Key value for chemical safety assessment

Water solubility:

22 mg/L

at the temperature of:

20 °C