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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
see "Principles of method if other than guideline"
Qualifier:
according to guideline
Guideline:
other: Currenta internal SOP 00190 Version 3
Version / remarks:
This SOP corresponds to Council Regulations EC No 440/2008, Guideline Part A – Methods for the Determination of Physico-Chemical Properties, A.6. “Water Solubility”
Deviations:
yes
Remarks:
see "Principles of method if other than guideline"
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
yes
Remarks:
This SOP corresponds to Council Regulations EC No 440/2008, Guideline Part A – Methods for the Determination of Physico-Chemical Properties, A.6. “Water Solubility”
Qualifier:
according to guideline
Guideline:
other: Currenta internal SOP 00178 Version 3 for the determination of the pH-value
Deviations:
no
Principles of method if other than guideline:
Because the test item seems to be susceptible to hydrolysis (preliminary test) the test design differs from the Guideline. Instead of solving for 24, 48 and 72 hours at 30 °C, the period of testing was shortened and the temperature reduced. This deviation was considered not have affected the integrity or validity of the study.
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
Hydroxytoluic acid
EC Number:
201-473-8
EC Name:
Hydroxytoluic acid
Cas Number:
83-40-9
Molecular formula:
C8H8O3
IUPAC Name:
hydroxytoluic acid

Results and discussion

Water solubility
Key result
Water solubility:
0.404 g/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
>= 2.9 - <= 3
Remarks on result:
other: mean value of three measurements

Applicant's summary and conclusion

Conclusions:
The GLP study was performed according to OECD 105 and OPPTS 830.7840 with only small deviations not affecting the validity of the study and therefore reliability of Klimisch 1 has been assigned. The water solubility has been determined to be 0.313 g/L (moderately soluble) at 20 °C and pH 3.4.
Executive summary:

The water solubility of the test item Hydroxytoluic acid in demineralized water was determined with the flask method at 20 °C according to OECD TG 105 and OPPTS 830.7840. The concentration of the test item in the aqueous test solutions was determined by HPLC analysis with UV detection.

Results of single determinations and mean value

Water solubility test at 20°C   Flask A  Flask B  Flask C  Mean value

 Concentration of Hydroxytoluic acid

 0.39450 g/L

 0.39791 g/L

 0.42152 g/L

 0.404 g/L

 pH value

 3.0

 2.9

 2.9

 -

The relative standard deviation between the single determinations is < 15 %. The validity criteria have therefore been met. The substance is moderately soluble in water.