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Water solubility

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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 reports
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The water solubility determination of test item Methyl nicotinate (CAS No. 93-60-7) 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): Methyl nicotinate
- Molecular formula: C7H7NO2
- Molecular weight: 137.137 g/mol
- Smiles notation: c1(C(OC)=O)cccnc1
- InChI: 1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
2 295 832 mg/L
Conc. based on:
test mat.
Temp.:
29 °C
Remarks on result:
other: no other details mentioned

Sample Stirring time (hours)

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

Dilution factor

Solubility value obtained (mg/l)

24

-

-

-

48

16.4669

160000

2634704

72

12.2310

160000

1956960

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

=(2634704+1956960)/2

=2295832 mg/L

Conclusions:
The water solubility determination of test item Methyl nicotinate [CAS No.93-60-7] was done by spectrophotometric method. The water solubility of methyl nicotinate at 29°C. was determined to be 2295832 mg/L
Executive summary:

The water solubility determination of test item Methyl nicotinate (CAS No. 93-60-7) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of Methyl nicotinate (93-60-7) in water was determined to be 2295832 mg/L at 29°C.

Description of key information

The water solubility determination of test item Methyl nicotinate (CAS No. 93-60-7) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of Methyl nicotinate (93-60-7) in water was determined to be 2295832 mg/L at 29°C.

Key value for chemical safety assessment

Water solubility:
2 295 832 mg/L
at the temperature of:
29 °C

Additional information

The water solubility determination of test item Methyl nicotinate (CAS No. 93-60-7) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of Methyl nicotinate (93-60-7) in water was determined to be 2295832 mg/L at 29°C.

Data from handbooks and authoritative databases suggests that the experimental solubility of methyl nicotinate in water at 20 deg C was 47600 mg/l.

These values indicate that methyl nicotinate is highly soluble in water.