Methyl nicotinate

Water solubility

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 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.