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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
26 Jul 2017 - 30 Aug 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Cross-reference
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
2014
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Version / remarks:
1998
Deviations:
no
GLP compliance:
yes
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
(2S)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium chloride
EC Number:
695-797-0
Cas Number:
93601-86-6
Molecular formula:
C14H21NO.HCl
IUPAC Name:
(2S)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium chloride
Test material form:
solid: particulate/powder
Details on test material:
- Appearance: White to off-white powder
- Storage condition of test material: At room temperature

Results and discussion

Water solubility
Key result
Water solubility:
8.81 g/L
Conc. based on:
test mat.
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
>= 3.8 - <= 4
Details on results:
- Concentration analysed after 24, 48 and 72 hours of stirring: 8.85 g/L, 8.69 g/L and 8.90 g/L, resp.
- Maximum difference meets the criterion of ≤ 15% (i.e. 2.4%)
- The mean of the three concentrations was reported as the water solubility of the substance.

Applicant's summary and conclusion

Conclusions:
The water solubility of the substance at 20°C was determined to be 8.81 g/L.
Executive summary:

The water solubility of the substance was determined using the flask method in a GLP study according to EC A.6, OECD 105 and OPPTS 830.7840. Quantification was performed by UPLC-UV. The pH of the aqueous samples was 3.8 - 4.0. From the measurements obtained after 24, 48 and 72 hours of stirring, the water solubility at 20°C was determined to be 8.81 g/L.