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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
31 December 2004 to 23 May 2005
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study was conducted in 2005 according to EU and OECD Method and in accordance with GLP. The study material is well characterized.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2005
Report date:
2005

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(3-hydroxyadamantan-1-yl)acetic acid
EC Number:
700-361-0
Cas Number:
361442-00-4
Molecular formula:
C17H27NO5
IUPAC Name:
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(3-hydroxyadamantan-1-yl)acetic acid
Constituent 2
Reference substance name:
1-Hydroxyadamantanyl-3-(S)-Boc-glycine
IUPAC Name:
1-Hydroxyadamantanyl-3-(S)-Boc-glycine
Details on test material:
Off-white powder; stored at room temperature; received at testing laboratory on 06-10-2004.

Results and discussion

Water solubility
Water solubility:
3.692 g/L
Temp.:
30 °C
pH:
ca. 3
Details on results:
A preliminary test indicated that the solubility of BMS 528233-01 in water was between approximately 2 and 5 g/L. Calibration data: the calibration line was established linearly. The temperature of the incubation bath over the period of the test was maintained at 20.1°C.

Any other information on results incl. tables

Calibration Data:

Sequence reference : Water Solubility 2

Slope : 7.3132

Intercept : -2.3224

Correlation : 0.9998

Minimum calibrant conc (µg/mL) : 1.000

Maximum calibrant conc (µg/mL) : 100.0

Solubility Data in Distilled Water

Test ref

Time at 30C (h)

pH

Dilution factor

Peak area

BMS 528233-01

Conc (µg/mL)

1a

72

2.99

100

270016.6

3724

1b

100

266855.6

3681

2a

72

2.99

100

270141.5

3726

2b

100

267973.2

3696

3a

48

2.97

100

268850.2

3708

3b

100

266054.7

3670

4a

48

2.97

100

268833.6

3708

4b

100

267213.1

3686

5a

24

2.96

100

265349.3

3660

5b

100

263817.0

3639

6a

24

2.96

100

271210.3

3740

6b

100

266229.5

3672

 

Mean

3.692 (g/L)

SD(n-1):

0.02993 (g/L)

CV (%):

0.8105

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): soluble (1000-10000 mg/L) 3693 mg/l
The mean aqueous solubility of BMS 528233-01 was determined by the shake flask method to be 3.692 g/L, with a standard deviation of 0.030 g/L and a coefficient of variation of 0.81%.
Executive summary:

A preliminary test indicated that the solubility of BMS 528233-01 in water was between approximately 2 and 5 g/L. Calibration data: the calibration line was established linearly. The temperature of the incubation bath over the period of the test was maintained at 20.1°C. The mean aqueous solubility of BMS 528233-01 was determined by the shake flask method to be 3.692 g/L, with a standard deviation of 0.030 g/L and a coefficient of variation of 0.81%.