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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 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 N-(2-chloroethyl)pyrrolidine hydrochloride (CAS No. 7250-67-1) was done as per the OECD guideline 105 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:1-(2-chloroethyl)pyrrolidine hydrochloride
- Molecular formula: C6H12ClNClH
- Molecular weight: 170.082 g/mol
- Smiles notation: N1(CCCl)CCCC1.Cl
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
500 858.301 mg/L
Conc. based on:
test mat.
Temp.:
30 °C
Remarks on result:
other: no additional details mentioned

Sample Stirring time (in hours)

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

Dilution factor

Solubility value obtained (mg/l)

24

-

-

-

48

25610.5938

20

512211.876

72

24475.2363

20

489504.726

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

=(512211.876+489504.726)/2

=500858.301 mg/L

Conclusions:
The water solubilitydetermination of test item 1-(2-chloroethyl)pyrrolidine hydrochloride [CAS No.7250-67-1] was done by spectrophotometric method. The water solubility was determined to be 500858.301 mg/L at 30°C.
Executive summary:

The water solubility determination of test item 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS No. 7250-67-1) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS:7250-67-1 ) in water was determined to be 500858.301 mg/L at 30°C.

Description of key information

The water solubility determination of test item 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS No. 7250-67-1) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS:7250-67-1 ) in water was determined to be 500858.301 mg/L at 30°C.

Key value for chemical safety assessment

Water solubility:
500 858.301 mg/L
at the temperature of:
30 °C

Additional information

The water solubility determination of test item 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS No. 7250-67-1) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS:7250-67-1 ) in water was determined to be 500858.301 mg/L at 30°C.

WSKOW v1.42 was used to estimate the water solubility of 1-(2-chloroethyl)pyrrolidine hydrochloride. The estimated water solubility of 1-(2-chloroethyl)pyrrolidine hydrochloride at 25 deg C was 35080 mg/l. The experimental and estimated values indicate that 1-(2-chloroethyl)pyrrolidine hydrochloride is soluble in water.