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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

Physical & Chemical properties

Water solubility

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Administrative data

Link to relevant study record(s)

Reference
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
Justification for type of information:
Data is from experimental report
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The water solubility determination of test item 4-methoxyphenylacetic acid (CAS No. 104-01-8) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101.
GLP compliance:
not specified
Type of method:
flask method
Specific details on test material used for the study:
Name of test material (as cited in study report):4 methoxy phenylacetic acid (MPAA)
- Molecular formula : C9H10O3
- Molecular weight : 166.175g/mol
- Smiles notation: c1(ccc(OC)cc1)CC(O)=O
- InChl : 1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H, 6H2, 1H3, (H,10,11)
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
3 745.6 mg/L
Conc. based on:
test mat.
Temp.:
28 °C
Remarks on result:
other: no additional details mentioned

Results of the confirmatory test

Sample stirring time (in hours)

Concentration obtained on the basis of standard curve (mg/l)

Dilution Factor

Solubility value obtained (mg/l)

24

-

-

-

48

9.9756

400

3990.24

72

8.7524

400

3500.96

 

Considering the water solubility for 48 hrs and 72 hrs the mean water solubility was calculated as follows:

Mean water solubility value for 48 hour run sample + 72 hour run sample

=(3990.24+3500.96)/2

=3745.6 mg/L

Conclusions:
The water solubility for the test item 4-methoxyphenylacetic acid was determined to be 3745.6 mg/L at 28°C.
Executive summary:

The water solubility determination of test item 4-methoxyphenylacetic acid (CAS No. 104-01-8) was done as per the OECD guideline 105 and by spectrophoto metric analytical method as per OECD 101. The solubility of 4-methoxyphenylacetic acid (CAS No: 104 -01 -8) in water was determined to be 3745.6 mg/L at 28°C. This value indicates that the substance is soluble in water.

Description of key information

The water solubility determination of test item 4-methoxyphenylacetic acid (CAS No. 104-01-8) was done as per the OECD guideline 105 and by spectrophoto metric analytical method as per OECD 101. The solubility of 4-methoxyphenylacetic acid (CAS No: 104 -01 -8) in water was determined to be 3745.6 mg/L at 28°C.

Key value for chemical safety assessment

Water solubility:
3 745.6 mg/L
at the temperature of:
28 °C

Additional information

The water solubility determination of test item 4-methoxyphenylacetic acid (CAS No. 104-01-8) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 4-methoxyphenylacetic acid (CAS No: 104 -01 -8) in water was determined to be 3745.6 mg/L at 28°C.

Data from various modelling databases suggests that the estimated water solubility of 4-methoxyphenyl acetic acid at 25 deg C was 9753.0 mg/l.

Also data from handbooks and authoritative databases suggests that 4 -methoxyphenyl acetic acid is soluble in water.

Based on the values from the experimental and estimated data, 4 -methoxyphenylacetic acid can be considered to be soluble in water.